 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_M11-def2SVPDr.in
 Output=03_trispirononane_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/03_trispirononane_STD/Gau-2812.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2813.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=03_trispirononane_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 13:35:48 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 13:35:49 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Fri Jul 23 13:35:49 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   294 symmetry adapted cartesian basis functions of A   symmetry.
 There are   276 symmetry adapted basis functions of A   symmetry.
   276 basis functions,   408 primitive gaussians,   294 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 13:35:50 2021, MaxMem= 10737418240 cpu:              13.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   276 RedAO= T EigKep=  2.39D-05  NBF=   276
 NBsUse=   276 1.00D-06 EigRej= -1.00D+00 NBFU=   276
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   294   294   294   294   294 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Fri Jul 23 13:35:51 2021, MaxMem= 10737418240 cpu:               6.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 13:35:51 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 13:35:52 2021, MaxMem= 10737418240 cpu:               6.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737237681 LenY= 10737150804
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.544596193864    
 DIIS: error= 4.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.544596193864     IErMin= 1 ErrMin= 4.69D-03
 ErrMax= 4.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-02 BMatP= 1.01D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.473 Goal=   None    Shift=    0.000
 GapD=    0.473 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.97D-03 MaxDP=1.45D-01              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.94D-03    CP:  9.71D-01
 E= -349.556351407482     Delta-E=       -0.011755213618 Rises=F Damp=F
 DIIS: error= 6.11D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.556351407482     IErMin= 2 ErrMin= 6.11D-04
 ErrMax= 6.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-04 BMatP= 1.01D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.11D-03
 Coeff-Com: -0.115D+00 0.111D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.114D+00 0.111D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 RMSDP=1.04D-03 MaxDP=3.17D-02 DE=-1.18D-02 OVMax= 4.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.41D-04    CP:  9.80D-01  1.12D+00
 E= -349.556829969419     Delta-E=       -0.000478561937 Rises=F Damp=F
 DIIS: error= 1.83D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.556829969419     IErMin= 3 ErrMin= 1.83D-04
 ErrMax= 1.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-05 BMatP= 2.35D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.83D-03
 Coeff-Com: -0.244D-01 0.109D+00 0.916D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.243D-01 0.109D+00 0.916D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=1.32D-04 MaxDP=4.47D-03 DE=-4.79D-04 OVMax= 1.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  9.77D-01  1.12D+00  9.81D-01
 E= -349.556850134794     Delta-E=       -0.000020165375 Rises=F Damp=F
 DIIS: error= 9.16D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.556850134794     IErMin= 4 ErrMin= 9.16D-05
 ErrMax= 9.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-06 BMatP= 1.81D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-02-0.768D-01 0.322D+00 0.753D+00
 Coeff:      0.263D-02-0.768D-01 0.322D+00 0.753D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=4.24D-05 MaxDP=1.24D-03 DE=-2.02D-05 OVMax= 4.54D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.76D-05    CP:  9.77D-01  1.12D+00  1.02D+00  9.76D-01
 E= -349.556854936862     Delta-E=       -0.000004802069 Rises=F Damp=F
 DIIS: error= 2.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.556854936862     IErMin= 5 ErrMin= 2.76D-05
 ErrMax= 2.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-07 BMatP= 4.57D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-02-0.242D-01 0.358D-01 0.196D+00 0.791D+00
 Coeff:      0.190D-02-0.242D-01 0.358D-01 0.196D+00 0.791D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=8.63D-06 MaxDP=2.69D-04 DE=-4.80D-06 OVMax= 1.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.67D-06    CP:  9.77D-01  1.12D+00  1.02D+00  9.98D-01  9.80D-01
 E= -349.556855147823     Delta-E=       -0.000000210961 Rises=F Damp=F
 DIIS: error= 8.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.556855147823     IErMin= 6 ErrMin= 8.43D-06
 ErrMax= 8.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-08 BMatP= 1.89D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.374D-03-0.149D-02-0.170D-01-0.633D-02 0.251D+00 0.773D+00
 Coeff:      0.374D-03-0.149D-02-0.170D-01-0.633D-02 0.251D+00 0.773D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=3.61D-06 MaxDP=1.14D-04 DE=-2.11D-07 OVMax= 3.80D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  9.77D-01  1.12D+00  1.02D+00  1.00D+00  1.05D+00
                    CP:  9.57D-01
 E= -349.556855177184     Delta-E=       -0.000000029360 Rises=F Damp=F
 DIIS: error= 1.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.556855177184     IErMin= 7 ErrMin= 1.43D-06
 ErrMax= 1.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-10 BMatP= 2.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.732D-04 0.147D-02-0.470D-02-0.150D-01-0.317D-01 0.998D-01
 Coeff-Com:  0.950D+00
 Coeff:     -0.732D-04 0.147D-02-0.470D-02-0.150D-01-0.317D-01 0.998D-01
 Coeff:      0.950D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=4.48D-05 DE=-2.94D-08 OVMax= 1.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.93D-07    CP:  9.77D-01  1.12D+00  1.02D+00  1.00D+00  1.07D+00
                    CP:  1.03D+00  1.14D+00
 E= -349.556855178864     Delta-E=       -0.000000001680 Rises=F Damp=F
 DIIS: error= 6.96D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.556855178864     IErMin= 8 ErrMin= 6.96D-07
 ErrMax= 6.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-10 BMatP= 9.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.686D-04 0.816D-03-0.587D-03-0.588D-02-0.354D-01-0.237D-01
 Coeff-Com:  0.374D+00 0.691D+00
 Coeff:     -0.686D-04 0.816D-03-0.587D-03-0.588D-02-0.354D-01-0.237D-01
 Coeff:      0.374D+00 0.691D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=2.82D-07 MaxDP=8.92D-06 DE=-1.68D-09 OVMax= 4.34D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.00D-07    CP:  9.77D-01  1.12D+00  1.02D+00  1.00D+00  1.07D+00
                    CP:  1.05D+00  1.20D+00  9.80D-01
 E= -349.556855179130     Delta-E=       -0.000000000266 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.556855179130     IErMin= 9 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.73D-12 BMatP= 2.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-05-0.937D-04 0.401D-03 0.112D-02 0.107D-02-0.105D-01
 Coeff-Com: -0.755D-01 0.537D-01 0.103D+01
 Coeff:      0.209D-05-0.937D-04 0.401D-03 0.112D-02 0.107D-02-0.105D-01
 Coeff:     -0.755D-01 0.537D-01 0.103D+01
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=4.08D-06 DE=-2.66D-10 OVMax= 1.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.05D-08    CP:  9.77D-01  1.12D+00  1.02D+00  1.00D+00  1.07D+00
                    CP:  1.05D+00  1.22D+00  1.08D+00  1.22D+00
 E= -349.556855179144     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.29D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.556855179144     IErMin=10 ErrMin= 2.29D-08
 ErrMax= 2.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-13 BMatP= 6.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.250D-05-0.358D-04 0.479D-04 0.283D-03 0.160D-02 0.461D-03
 Coeff-Com: -0.208D-01-0.246D-01 0.795D-01 0.964D+00
 Coeff:      0.250D-05-0.358D-04 0.479D-04 0.283D-03 0.160D-02 0.461D-03
 Coeff:     -0.208D-01-0.246D-01 0.795D-01 0.964D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=2.24D-08 MaxDP=7.81D-07 DE=-1.36D-11 OVMax= 2.37D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  9.77D-01  1.12D+00  1.02D+00  1.00D+00  1.07D+00
                    CP:  1.05D+00  1.22D+00  1.09D+00  1.28D+00  1.20D+00
 E= -349.556855179118     Delta-E=        0.000000000026 Rises=F Damp=F
 DIIS: error= 6.95D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -349.556855179144     IErMin=11 ErrMin= 6.95D-09
 ErrMax= 6.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-14 BMatP= 2.33D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-06-0.648D-06-0.158D-04-0.231D-04 0.247D-03 0.738D-03
 Coeff-Com:  0.595D-03-0.866D-02-0.475D-01 0.176D+00 0.879D+00
 Coeff:      0.311D-06-0.648D-06-0.158D-04-0.231D-04 0.247D-03 0.738D-03
 Coeff:      0.595D-03-0.866D-02-0.475D-01 0.176D+00 0.879D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=5.66D-09 MaxDP=1.61D-07 DE= 2.61D-11 OVMax= 6.58D-08

 SCF Done:  E(RM11) =  -349.556855179     A.U. after   11 cycles
            NFock= 11  Conv=0.57D-08     -V/T= 2.0131
 KE= 3.450366342115D+02 PE=-1.669421273241D+03 EE= 5.435311186667D+02
 Leave Link  502 at Fri Jul 23 13:37:10 2021, MaxMem= 10737418240 cpu:            1235.3 elap:              77.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   276
 NBasis=   276 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    276 NOA=    33 NOB=    33 NVA=   243 NVB=   243

 **** Warning!!: The largest alpha MO coefficient is  0.40731013D+02

 Leave Link  801 at Fri Jul 23 13:37:10 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6343 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.22D-01 4.69D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.10D-02 1.86D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.82D-03 6.86D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 7.61D-05 1.70D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.98D-06 3.09D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.22D-07 8.46D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 1.54D-08 2.55D-05.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.50D-10 3.12D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 6.97D-12 3.17D-07.
      7 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.78D-13 6.51D-08.
      1 vectors produced by pass 11 Test12= 1.34D-13 8.33D-09 XBig12= 8.80D-15 1.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.119618D+03
      2 -0.224803D-03  0.971134D+02
      3  0.126949D+01  0.183336D-03  0.921375D+02
 Isotropic polarizability for W=    0.085645      102.96 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.166701D-01 -0.237273D+02 -0.361683D-02
      2   0.442175D-02 -0.812818D+01 -0.103801D-01
      3   0.122483D-01  0.318555D+02  0.139969D-01
      4  -0.262089D+02 -0.141579D-02 -0.600715D+00
      5  -0.293097D-02  0.191052D+01  0.118467D-01
      6  -0.129000D+01 -0.124841D-01  0.157423D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.761786D+01 -0.344740D-03  0.150080D+01
      2  -0.181494D-02 -0.276446D+01  0.297874D-02
      3   0.243164D+02 -0.844599D-03 -0.305413D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.251124D+01 -0.210404D-02  0.161132D+02
      2  -0.685869D-03  0.689282D+00 -0.401604D-03
      3  -0.248158D+01  0.583754D-02 -0.320052D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.228148D+01  0.191181D-03 -0.475036D+01
      2   0.191181D-03  0.245419D+01  0.145955D-03
      3  -0.475036D+01  0.145955D-03  0.162657D+01
 OR G Eigenvalues:    -5.4640     2.4542     4.8091  Iso=    -0.5998
 Eigenvectors:
   (1)   0.830788  -0.000030   0.556589
   (2)   0.000029   1.000000   0.000012
   (3)  -0.556589   0.000006   0.830788
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5998 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -236.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   38226 ScalPx= 2.08D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.54D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.90D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 5.09D-02 3.11D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 2.30D-03 6.50D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 3.31D-05 8.47D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 4.92D-07 1.11D-04.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 5.71D-09 1.06D-05.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 7.77D-11 1.23D-06.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 7.26D-13 1.12D-07.
     15 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 6.27D-15 1.15D-08.
     12 vectors produced by pass  9 Test12= 2.23D-14 2.78D-09 XBig12= 3.18D-15 1.26D-08.
      4 vectors produced by pass 10 Test12= 2.23D-14 2.78D-09 XBig12= 7.68D-15 1.03D-08.
      1 vectors produced by pass 11 Test12= 2.23D-14 2.78D-09 XBig12= 2.98D-15 7.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   272 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 6.34D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 6.34D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.94D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119618D+03 -0.224803D-03  0.126949D+01
      2  -0.224803D-03  0.971134D+02  0.183336D-03
      3   0.126949D+01  0.183336D-03  0.921375D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761786D+01 -0.344740D-03  0.150080D+01
      2  -0.181494D-02 -0.276446D+01  0.297874D-02
      3   0.243164D+02 -0.844599D-03 -0.305413D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.166701D-01 -0.237273D+02 -0.361683D-02
      2   0.442175D-02 -0.812818D+01 -0.103801D-01
      3   0.122483D-01  0.318555D+02  0.139969D-01
      4  -0.262089D+02 -0.141579D-02 -0.600715D+00
      5  -0.293097D-02  0.191052D+01  0.118467D-01
      6  -0.129000D+01 -0.124841D-01  0.157423D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339729D+01  0.312391D+01 -0.517641D+01 -0.832210D+00 -0.321672D+01
      2   0.312391D+01 -0.415491D+01  0.903355D+00 -0.321672D+01 -0.239679D+01
      3  -0.517641D+01  0.903355D+00  0.282481D+01  0.184724D+01 -0.136892D+01
                 6             7             8             9            10 
      1   0.184724D+01 -0.211569D+01 -0.112878D+01  0.195309D+01 -0.258415D+00
      2  -0.136892D+01 -0.112878D+01 -0.248073D+01  0.228924D+01  0.773213D+00
      3   0.323145D+01  0.195309D+01  0.228924D+01  0.256136D+01 -0.137531D+01
                11            12            13            14            15 
      1   0.773213D+00 -0.137531D+01  0.236368D+01 -0.112159D+01 -0.276569D+01
      2  -0.769803D-01  0.798920D+00 -0.112159D+01  0.121824D+01  0.119164D+01
      3   0.798920D+00 -0.427914D+00 -0.276569D+01  0.119164D+01 -0.130989D+01
                16            17            18            19            20 
      1  -0.520208D+01 -0.101331D+01  0.106264D+01 -0.119337D-02 -0.570105D+00
      2  -0.101331D+01  0.298154D+01 -0.102556D+01 -0.570105D+00  0.135684D-03
      3   0.106264D+01 -0.102556D+01  0.217352D+00 -0.909871D-04 -0.184933D+00
                21            22            23            24            25 
      1  -0.909871D-04  0.196775D+01 -0.167348D-02  0.335711D+01  0.489996D-03
      2  -0.184933D+00 -0.167348D-02  0.488641D+00  0.132709D-03  0.496433D+01
      3   0.109392D-03  0.335711D+01  0.132709D-03 -0.249187D+01  0.194620D-02
                26            27            28            29            30 
      1   0.496433D+01  0.194620D-02  0.703875D+00 -0.340652D+01  0.311930D+01
      2   0.262832D-03 -0.111178D+01 -0.340652D+01 -0.280029D+00 -0.379917D+00
      3  -0.111178D+01 -0.134103D-02  0.311930D+01 -0.379917D+00  0.207848D+01
                31            32            33            34            35 
      1  -0.603457D+01  0.239656D+01 -0.307434D+00  0.435149D+01  0.136582D+01
      2   0.239656D+01  0.211869D+01  0.315546D+01  0.136582D+01  0.185979D+01
      3  -0.307434D+00  0.315546D+01  0.234142D+01  0.816949D+00  0.159276D+01
                36            37            38            39            40 
      1   0.816949D+00  0.149406D+01 -0.294929D+01  0.668444D+00 -0.198861D+01
      2   0.159276D+01 -0.294929D+01  0.306566D+01 -0.330184D+01  0.270547D+01
      3  -0.334346D+01  0.668444D+00 -0.330184D+01 -0.339592D+01 -0.111923D+01
                41            42            43            44            45 
      1   0.270547D+01 -0.111923D+01  0.251146D+01 -0.424228D+01 -0.275879D+01
      2  -0.184934D+01 -0.226572D+01 -0.424228D+01 -0.218019D+01 -0.531473D-01
      3  -0.226572D+01 -0.256722D+00 -0.275879D+01 -0.531473D-01  0.671488D+00
                46            47            48            49            50 
      1  -0.339657D+01  0.312148D+01  0.517622D+01 -0.832659D+00  0.321730D+01
      2   0.312148D+01  0.415440D+01  0.904663D+00  0.321730D+01 -0.239841D+01
      3   0.517622D+01  0.904663D+00 -0.282687D+01  0.184907D+01  0.136613D+01
                51            52            53            54            55 
      1   0.184907D+01  0.211416D+01 -0.112783D+01 -0.195566D+01  0.263845D+00
      2   0.136613D+01 -0.112783D+01  0.247794D+01  0.229021D+01  0.773296D+00
      3   0.323146D+01 -0.195566D+01  0.229021D+01 -0.255778D+01  0.137578D+01
                56            57            58            59            60 
      1   0.773296D+00  0.137578D+01  0.236189D+01  0.112278D+01 -0.276508D+01
      2   0.759670D-01  0.798450D+00  0.112278D+01  0.122062D+01 -0.119015D+01
      3   0.798450D+00  0.428030D+00 -0.276508D+01 -0.119015D+01 -0.130984D+01
                61            62            63            64            65 
      1   0.520281D+01 -0.101329D+01 -0.106465D+01 -0.149608D+01 -0.295296D+01
      2  -0.101329D+01 -0.298042D+01 -0.102722D+01 -0.295296D+01 -0.306252D+01
      3  -0.106465D+01 -0.102722D+01 -0.218802D+00 -0.667718D+00 -0.330358D+01
                66            67            68            69            70 
      1  -0.667718D+00 -0.198991D+01 -0.270245D+01 -0.112064D+01 -0.251069D+01
      2  -0.330358D+01 -0.270245D+01 -0.185119D+01  0.226663D+01 -0.424298D+01
      3   0.339297D+01 -0.112064D+01  0.226663D+01 -0.253653D+00  0.275678D+01
                71            72            73            74            75 
      1  -0.424298D+01  0.275678D+01 -0.710694D+00 -0.340526D+01 -0.312161D+01
      2   0.218117D+01 -0.489610D-01 -0.340526D+01  0.280794D+00 -0.377436D+00
      3  -0.489610D-01 -0.675140D+00 -0.312161D+01 -0.377436D+00 -0.207533D+01
                76            77            78            79            80 
      1  -0.603280D+01 -0.239745D+01 -0.305574D+00 -0.435392D+01  0.136748D+01
      2  -0.239745D+01  0.212162D+01 -0.315560D+01  0.136748D+01 -0.186012D+01
      3  -0.305574D+00 -0.315560D+01  0.233801D+01 -0.812467D+00  0.159009D+01
                81            82            83            84            85 
      1  -0.812467D+00  0.172502D+01  0.162752D+01 -0.159386D+00  0.286075D+01
      2   0.159009D+01  0.162752D+01  0.316547D+01 -0.777000D+00  0.294150D+01
      3   0.334773D+01 -0.159386D+00 -0.777000D+00  0.368761D+00 -0.928702D+00
                86            87            88            89            90 
      1   0.294150D+01 -0.928702D+00  0.935610D+00 -0.398135D-01  0.290358D+00
      2   0.956888D+01 -0.203196D+01 -0.398135D-01  0.356992D+00  0.126997D+01
      3  -0.203196D+01  0.169437D+01  0.290358D+00  0.126997D+01 -0.124106D+01
                91            92            93            94            95 
      1  -0.979972D+00 -0.968469D-01 -0.460570D+00 -0.937291D+00  0.547435D+00
      2  -0.968469D-01  0.193450D+00 -0.212302D-01  0.547435D+00  0.442384D+00
      3  -0.460570D+00 -0.212302D-01 -0.170223D+01 -0.325759D+00 -0.118080D+01
                96            97            98            99           100 
      1  -0.325759D+00 -0.168591D+01  0.919419D-01 -0.258908D+00  0.875370D+00
      2  -0.118080D+01  0.919419D-01 -0.152331D+01  0.103125D+01  0.607755D+00
      3  -0.170051D+01 -0.258908D+00  0.103125D+01 -0.100883D+02  0.888513D+00
               101           102           103           104           105 
      1   0.607755D+00  0.888513D+00  0.616023D+00  0.319802D+00  0.179390D+00
      2  -0.261040D+00  0.247328D+00  0.319802D+00 -0.594173D+00  0.683037D+00
      3   0.247328D+00 -0.400636D+00  0.179390D+00  0.683037D+00 -0.943966D+00
               106           107           108           109           110 
      1   0.250279D+01 -0.360432D+00  0.267023D+01  0.105516D+02  0.277682D+01
      2  -0.360432D+00  0.119353D+01 -0.700738D+00  0.277682D+01  0.182971D+01
      3   0.267023D+01 -0.700738D+00  0.940186D+01  0.457203D+00  0.158548D+00
               111           112           113           114           115 
      1   0.457203D+00  0.496338D+01  0.196128D+01  0.320213D+00 -0.200105D+01
      2   0.158548D+00  0.196128D+01  0.149129D+01 -0.174571D+00 -0.332700D+00
      3   0.110807D+01  0.320213D+00 -0.174571D+00  0.557459D+00  0.147361D+01
               116           117           118           119           120 
      1  -0.332700D+00  0.147361D+01 -0.561781D+00 -0.644759D+00  0.741511D-01
      2  -0.886820D+00  0.283337D+00 -0.644759D+00 -0.276728D+01  0.901931D+00
      3   0.283337D+00  0.469183D+00  0.741511D-01  0.901931D+00 -0.285366D+00
               121           122           123           124           125 
      1  -0.136098D+01 -0.423729D+00  0.391582D+00  0.837117D+00  0.721610D+00
      2  -0.423729D+00 -0.773363D+01  0.109298D+01  0.721610D+00  0.232908D+01
      3   0.391582D+00  0.109298D+01 -0.127937D+01  0.335241D+00 -0.156541D+01
               126           127           128           129           130 
      1   0.335241D+00  0.350542D+01 -0.152588D+01 -0.224372D+01 -0.633628D+00
      2  -0.156541D+01 -0.152588D+01  0.130155D+01  0.156226D+01  0.119828D+01
      3   0.929842D+00 -0.224372D+01  0.156226D+01  0.274856D+01  0.102935D+01
               131           132           133           134           135 
      1   0.119828D+01  0.102935D+01 -0.399552D+01  0.245551D+01  0.336634D+01
      2  -0.250938D+01 -0.144440D+01  0.245551D+01 -0.264513D+01 -0.256543D+01
      3  -0.144440D+01 -0.108837D+01  0.336634D+01 -0.256543D+01 -0.529051D+01
               136           137           138           139           140 
      1   0.981280D+00 -0.968305D-01  0.460528D+00 -0.937743D+00 -0.547130D+00
      2  -0.968305D-01 -0.192960D+00 -0.212464D-01 -0.547130D+00  0.441621D+00
      3   0.460528D+00 -0.212464D-01  0.170436D+01 -0.326214D+00  0.118111D+01
               141           142           143           144           145 
      1  -0.326214D+00  0.168599D+01  0.919424D-01  0.261108D+00 -0.172550D+01
      2   0.118111D+01  0.919424D-01  0.152294D+01  0.102953D+01  0.162741D+01
      3  -0.170153D+01  0.261108D+00  0.102953D+01  0.100871D+02  0.159970D+00
               146           147           148           149           150 
      1   0.162741D+01  0.159970D+00  0.286099D+01 -0.294112D+01 -0.929348D+00
      2  -0.316532D+01 -0.777696D+00 -0.294112D+01  0.956702D+01  0.203359D+01
      3  -0.777696D+00 -0.369112D+00 -0.929348D+00  0.203359D+01  0.169504D+01
               151           152           153           154           155 
      1  -0.934522D+00 -0.403947D-01 -0.290246D+00  0.561329D+00 -0.643256D+00
      2  -0.403947D-01 -0.354696D+00  0.127006D+01 -0.643256D+00  0.276498D+01
      3  -0.290246D+00  0.127006D+01  0.124187D+01 -0.746648D-01  0.902827D+00
               156           157           158           159           160 
      1  -0.746648D-01 -0.135988D+01  0.422037D+00  0.391670D+00 -0.838234D+00
      2   0.902827D+00  0.422037D+00 -0.773305D+01 -0.109602D+01  0.721155D+00
      3   0.285728D+00  0.391670D+00 -0.109602D+01 -0.128045D+01 -0.335144D+00
               161           162           163           164           165 
      1   0.721155D+00 -0.335144D+00 -0.350216D+01 -0.152500D+01  0.224216D+01
      2  -0.233258D+01 -0.156720D+01 -0.152500D+01 -0.130165D+01  0.156230D+01
      3  -0.156720D+01 -0.932085D+00  0.224216D+01  0.156230D+01 -0.274669D+01
               166           167           168           169           170 
      1  -0.633893D+00 -0.119900D+01  0.102975D+01  0.399447D+01  0.245591D+01
      2  -0.119900D+01 -0.251106D+01  0.144476D+01  0.245591D+01  0.264624D+01
      3   0.102975D+01  0.144476D+01 -0.108945D+01 -0.336503D+01 -0.256678D+01
               171           172           173           174           175 
      1  -0.336503D+01 -0.877056D+00  0.608026D+00 -0.888982D+00  0.616880D+00
      2  -0.256678D+01  0.608026D+00  0.260295D+00  0.246811D+00 -0.320198D+00
      3   0.529106D+01 -0.888982D+00  0.246811D+00  0.397947D+00  0.179481D+00
               176           177           178           179           180 
      1  -0.320198D+00  0.179481D+00 -0.250406D+01 -0.360001D+00 -0.267322D+01
      2  -0.593258D+00 -0.682776D+00 -0.360001D+00 -0.119329D+01 -0.698233D+00
      3  -0.682776D+00 -0.941219D+00 -0.267322D+01 -0.698233D+00 -0.940282D+01
               181           182           183           184           185 
      1  -0.105496D+02  0.277729D+01 -0.453808D+00  0.496284D+01 -0.196139D+01
      2   0.277729D+01 -0.182972D+01  0.157491D+00 -0.196139D+01  0.149127D+01
      3  -0.453808D+00  0.157491D+00 -0.110777D+01  0.318824D+00  0.175441D+00
               186           187           188           189 
      1   0.318824D+00  0.200530D+01 -0.333877D+00 -0.147418D+01
      2   0.175441D+00 -0.333877D+00  0.887802D+00  0.284010D+00
      3   0.557629D+00 -0.147418D+01  0.284010D+00 -0.467466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.386086D+01  0.463318D+01 -0.619025D+01  0.482440D+01  0.821883D+01
      2  -0.210390D+01  0.188222D+01  0.243520D+01  0.411222D+01 -0.710911D+01
      3   0.179302D+00  0.341464D+01 -0.599490D+01  0.608727D+01 -0.232495D+01
                 6             7             8             9            10 
      1  -0.775197D+01 -0.318805D+01  0.406768D+01 -0.943284D+01 -0.115762D+00
      2   0.555547D+01 -0.503357D+01  0.194984D+01  0.606718D+01 -0.507723D+00
      3   0.316191D+01 -0.568735D+01  0.215974D+01  0.951805D+00  0.464415D+01
                11            12            13            14            15 
      1   0.916387D+00  0.217862D+01 -0.230833D+01  0.783269D+00 -0.398272D+01
      2  -0.304972D+00  0.348407D+01 -0.218732D+01  0.208942D+01 -0.478690D+01
      3  -0.772298D+01 -0.184730D-01  0.131919D+02 -0.400853D+01 -0.156164D+01
                16            17            18            19            20 
      1  -0.725364D+01  0.450906D+01 -0.276622D+00  0.147818D-02 -0.192159D+01
      2  -0.966844D+01  0.242520D+01 -0.181208D+00 -0.442409D+01 -0.866995D-03
      3  -0.619855D+00 -0.588883D+01  0.254275D+01 -0.567651D-03 -0.534523D+01
                21            22            23            24            25 
      1  -0.188573D-03  0.395782D+01 -0.376887D-03 -0.119646D+01 -0.924925D-03
      2   0.661348D+01 -0.106602D-03 -0.441706D+00  0.243303D-03 -0.139347D+02
      3   0.126565D-03  0.144145D+02 -0.222002D-02 -0.775290D+00  0.698054D-04
                26            27            28            29            30 
      1   0.359501D+01  0.182173D-02 -0.334780D+01  0.119794D+01  0.274418D+00
      2  -0.655309D-03  0.165669D+01  0.129893D+02  0.237599D+01  0.859179D+01
      3   0.529661D+01  0.208860D-02  0.904808D+01 -0.250128D+01  0.292926D+00
                31            32            33            34            35 
      1  -0.174245D+01  0.378781D+01 -0.171088D-01  0.265613D+01  0.503720D+01
      2   0.388761D+01  0.931005D+01  0.740261D+01 -0.552258D+01  0.386359D+01
      3  -0.200477D+01 -0.781334D+01 -0.897823D+01 -0.294410D+01 -0.823187D+01
                36            37            38            39            40 
      1   0.260953D+01  0.176332D+01 -0.781819D+01 -0.400281D+01 -0.476611D+01
      2  -0.129263D+02 -0.663552D+00 -0.704216D+01 -0.522949D+01 -0.467024D+01
      3  -0.624464D+01  0.796221D+01 -0.932066D+01  0.700508D+01  0.213362D+00
                41            42            43            44            45 
      1  -0.479164D+01 -0.299370D+01 -0.590404D+01  0.634624D+01  0.160182D+01
      2  -0.384106D+01 -0.208500D+01 -0.745055D+01 -0.193008D+01 -0.565033D-03
      3  -0.348702D+00  0.973893D+01  0.871607D+01  0.126705D+02  0.650622D+01
                46            47            48            49            50 
      1  -0.386248D+01  0.463208D+01  0.619514D+01  0.482348D+01 -0.821717D+01
      2  -0.210419D+01 -0.188135D+01  0.243664D+01 -0.411180D+01 -0.710696D+01
      3  -0.179842D+00  0.341060D+01  0.599518D+01  0.608357D+01  0.232294D+01
                51            52            53            54            55 
      1  -0.775529D+01  0.319565D+01  0.406240D+01  0.942765D+01  0.115655D+00
      2  -0.555751D+01 -0.503043D+01 -0.195322D+01  0.606648D+01 -0.508116D+00
      3   0.316110D+01  0.568633D+01  0.215896D+01 -0.954150D+00 -0.464207D+01
                56            57            58            59            60 
      1   0.915877D+00 -0.217871D+01 -0.231009D+01 -0.783713D+00 -0.398220D+01
      2   0.305629D+00  0.348458D+01  0.218705D+01  0.208739D+01  0.478648D+01
      3  -0.772392D+01  0.182390D-01  0.131936D+02  0.401257D+01 -0.155822D+01
                61            62            63            64            65 
      1   0.725349D+01  0.450807D+01  0.277539D+00 -0.176084D+01 -0.781733D+01
      2  -0.966704D+01 -0.242215D+01 -0.179294D+00 -0.664089D+00  0.704762D+01
      3   0.620509D+00 -0.588735D+01 -0.254621D+01 -0.796882D+01 -0.930609D+01
                66            67            68            69            70 
      1   0.399928D+01 -0.476516D+01  0.479310D+01 -0.298730D+01  0.590240D+01
      2  -0.522356D+01  0.467318D+01 -0.384643D+01  0.207745D+01 -0.744616D+01
      3  -0.701255D+01  0.227022D+00  0.337728D+00  0.974549D+01 -0.871872D+01
                71            72            73            74            75 
      1   0.635422D+01 -0.160578D+01  0.334597D+01  0.119762D+01 -0.275569D+00
      2   0.191844D+01  0.103668D-01  0.129915D+02 -0.238248D+01  0.857973D+01
      3   0.126764D+02 -0.649223D+01 -0.904427D+01 -0.250244D+01 -0.285606D+00
                76            77            78            79            80 
      1  -0.174134D+01 -0.378807D+01 -0.194884D-01 -0.265835D+01  0.503450D+01
      2  -0.389149D+01  0.931066D+01 -0.739061D+01 -0.553917D+01 -0.385240D+01
      3  -0.200932D+01  0.782467D+01 -0.898064D+01  0.294718D+01 -0.823347D+01
                81            82            83            84            85 
      1  -0.260705D+01 -0.262273D+01 -0.350354D+01 -0.310987D+00 -0.246560D+01
      2  -0.129361D+02  0.198297D+01  0.115280D+01  0.105422D+01  0.253567D+01
      3   0.623520D+01  0.138836D+01 -0.256628D+01  0.771893D+00  0.412425D+01
                86            87            88            89            90 
      1  -0.107305D+02 -0.209001D+01 -0.432359D+00 -0.152152D+01  0.274643D+00
      2   0.169925D+01  0.136730D+01  0.477533D-01  0.138962D+01 -0.941173D+00
      3  -0.488002D+01  0.506678D+00  0.129469D+01 -0.114404D+00 -0.733428D+00
                91            92            93            94            95 
      1   0.176055D+01  0.824555D-01  0.311485D+01 -0.262673D+00  0.158693D+01
      2  -0.312265D+01 -0.450736D+00 -0.133001D+01 -0.202928D+01 -0.753655D+00
      3  -0.870490D+00 -0.580631D+00 -0.559697D+00 -0.438275D+00  0.978512D-01
                96            97            98            99           100 
      1   0.317534D+01  0.385549D+00  0.340173D+01  0.134783D+02  0.106341D+01
      2  -0.271881D+01 -0.574614D+01  0.108541D+01 -0.109066D+02  0.286535D+01
      3   0.519947D+00 -0.225263D+01  0.113786D+01 -0.139414D+01 -0.145266D+01
               101           102           103           104           105 
      1  -0.129647D+00  0.311303D+00  0.246716D+00 -0.690809D+00 -0.537406D+00
      2   0.188229D+00 -0.149536D+01 -0.365583D+00  0.198132D+01 -0.309126D+01
      3  -0.978447D-01 -0.100533D+01 -0.271332D+00  0.155129D+01 -0.177453D+01
               106           107           108           109           110 
      1   0.281995D-01  0.383195D+01  0.149187D+01  0.332840D+01  0.169201D+01
      2   0.257488D+01 -0.171576D+01  0.265489D+02 -0.668524D+01 -0.151772D+01
      3   0.737817D+00 -0.366336D+01  0.181270D+01 -0.820577D+01 -0.830854D+01
               111           112           113           114           115 
      1  -0.547657D+00  0.218440D+01  0.136003D+01 -0.104784D+01 -0.401836D+00
      2   0.542897D+01 -0.243771D+01 -0.213678D+01  0.231738D+01  0.484402D+01
      3  -0.606237D+00 -0.398775D+01 -0.485987D+01  0.561285D+00  0.783461D+00
               116           117           118           119           120 
      1   0.321259D+00  0.723273D+00  0.794027D+00  0.251646D+01 -0.156959D+01
      2   0.128924D+01  0.356273D+00  0.543287D+00  0.132053D+01 -0.763697D-02
      3   0.265079D+01 -0.901988D+00  0.285432D+01  0.804634D+01 -0.287879D+01
               121           122           123           124           125 
      1   0.698154D+00  0.439182D+01 -0.480312D+01  0.388152D+00 -0.251892D+01
      2   0.663380D+00  0.182808D+01 -0.207071D+01 -0.313828D+00 -0.303670D+01
      3   0.621479D+01  0.206296D+02 -0.352736D+01 -0.395767D+01 -0.732164D+01
               126           127           128           129           130 
      1   0.259253D+01 -0.345909D+01  0.137366D+01  0.435756D+01  0.129700D+01
      2   0.149112D+01 -0.276766D+01  0.313739D+01  0.680166D+01  0.174142D+01
      3   0.378445D+01 -0.165022D+01 -0.196862D+01 -0.774934D+00 -0.428726D+00
               131           132           133           134           135 
      1  -0.974698D+00 -0.239343D+01  0.426456D+01 -0.991365D+00 -0.799839D+01
      2  -0.284614D+01 -0.253703D+01  0.332910D+01 -0.443719D+01 -0.106533D+02
      3   0.502140D+01  0.205731D+01  0.238253D-01  0.395239D+01  0.151981D+01
               136           137           138           139           140 
      1  -0.176125D+01  0.841805D-01 -0.311737D+01 -0.261685D+00 -0.158816D+01
      2  -0.312636D+01  0.450974D+00 -0.133164D+01  0.203138D+01 -0.754321D+00
      3   0.871403D+00 -0.580080D+00  0.559668D+00 -0.437863D+00 -0.983101D-01
               141           142           143           144           145 
      1   0.317679D+01 -0.388876D+00  0.340440D+01 -0.134744D+02  0.262256D+01
      2   0.272036D+01 -0.574978D+01 -0.108319D+01 -0.109068D+02  0.198371D+01
      3   0.519484D+00  0.225142D+01  0.113643D+01  0.139439D+01 -0.138882D+01
               146           147           148           149           150 
      1  -0.350399D+01  0.310137D+00 -0.246508D+01  0.107293D+02 -0.208729D+01
      2  -0.115262D+01  0.105385D+01 -0.253662D+01  0.169908D+01 -0.136672D+01
      3  -0.256618D+01 -0.772058D+00  0.412389D+01  0.487751D+01  0.506841D+00
               151           152           153           154           155 
      1   0.430945D+00 -0.151798D+01 -0.275429D+00 -0.793985D+00  0.251521D+01
      2   0.464321D-01 -0.138883D+01 -0.942135D+00  0.545005D+00 -0.132338D+01
      3  -0.129347D+01 -0.112958D+00  0.733670D+00 -0.285064D+01  0.803656D+01
               156           157           158           159           160 
      1   0.156953D+01  0.697401D+00 -0.439180D+01 -0.480529D+01 -0.388330D+00
      2  -0.891743D-02 -0.665588D+00  0.183607D+01  0.207393D+01 -0.314932D+00
      3   0.288207D+01  0.620687D+01 -0.206257D+02 -0.353558D+01  0.395857D+01
               161           162           163           164           165 
      1  -0.252165D+01 -0.259678D+01  0.345778D+01  0.137483D+01 -0.435573D+01
      2   0.304139D+01  0.149576D+01 -0.276702D+01 -0.313852D+01  0.679819D+01
      3  -0.733017D+01 -0.378971D+01  0.164872D+01 -0.196958D+01  0.777240D+00
               166           167           168           169           170 
      1   0.129778D+01  0.975541D+00 -0.239601D+01 -0.426411D+01 -0.994458D+00
      2  -0.174186D+01 -0.284668D+01  0.253943D+01  0.332768D+01  0.444046D+01
      3  -0.429888D+00 -0.502423D+01  0.205729D+01 -0.222642D-01  0.395338D+01
               171           172           173           174           175 
      1   0.800113D+01 -0.106282D+01 -0.128109D+00 -0.311430D+00  0.246911D+00
      2  -0.106560D+02  0.286384D+01 -0.186707D+00 -0.148677D+01  0.366174D+00
      3  -0.152416D+01  0.145399D+01 -0.100189D+00  0.100357D+01 -0.272400D+00
               176           177           178           179           180 
      1   0.689541D+00 -0.536556D+00 -0.283960D-01  0.383209D+01 -0.148889D+01
      2   0.198009D+01  0.308293D+01  0.258483D+01  0.170911D+01  0.265518D+02
      3  -0.154900D+01 -0.177360D+01 -0.738178D+00 -0.366382D+01 -0.180588D+01
               181           182           183           184           185 
      1  -0.332724D+01  0.169052D+01  0.549455D+00  0.218372D+01 -0.135937D+01
      2  -0.668965D+01  0.152021D+01  0.543097D+01  0.243952D+01 -0.213858D+01
      3   0.820375D+01 -0.830820D+01  0.602492D+00 -0.398669D+01  0.485918D+01
               186           187           188           189 
      1  -0.104889D+01  0.403726D+00  0.320681D+00 -0.723802D+00
      2  -0.231904D+01  0.484863D+01 -0.129200D+01  0.349764D+00
      3   0.563932D+00 -0.785720D+00  0.265484D+01  0.903447D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.905090D+01  0.147702D+02 -0.405342D+01  0.752571D+01 -0.299424D+01
      2  -0.102367D+01 -0.172351D+02  0.116488D+02 -0.107107D+02 -0.145989D+02
      3   0.100746D+02  0.246486D+01 -0.759533D+01  0.318499D+01  0.175932D+02
      4   0.731751D+01 -0.537306D+01 -0.331020D+01 -0.781946D+01 -0.159761D+02
      5  -0.133286D+02 -0.176360D+01  0.118566D+02  0.858600D+00  0.259437D+01
      6  -0.151428D+02  0.756494D+01  0.242722D+01  0.912821D+01  0.581548D-01
                 6             7             8             9            10 
      1   0.955403D+01  0.118952D+01  0.623118D+01  0.941256D+01 -0.894579D+00
      2   0.116775D+01  0.410603D+01 -0.317885D+01  0.125964D+02 -0.992829D+00
      3  -0.107218D+02 -0.529555D+01 -0.305233D+01 -0.220090D+02  0.188741D+01
      4   0.628367D+00 -0.653707D+01 -0.352293D+01  0.744306D+01  0.376137D+01
      5   0.337289D+01  0.994975D+01  0.496758D+01 -0.315404D+01 -0.108669D+02
      6   0.767284D+01  0.474143D+01  0.808655D+01 -0.420887D+01  0.178179D+01
                11            12            13            14            15 
      1   0.184083D+01 -0.512625D+01 -0.146270D+01 -0.150372D+01 -0.546786D+01
      2   0.119543D+01  0.175794D+01  0.483635D+01  0.219574D+00  0.229472D+01
      3  -0.303625D+01  0.336831D+01 -0.337365D+01  0.128415D+01  0.317314D+01
      4  -0.128551D+01  0.446903D+01 -0.685725D+01  0.795324D+01  0.238188D+01
      5   0.594315D+01 -0.147907D+01 -0.261267D+01  0.108745D+01 -0.336715D+01
      6  -0.174498D+01  0.335288D+00 -0.393591D+01  0.144091D+01 -0.763563D+00
                16            17            18            19            20 
      1  -0.965192D+01 -0.381839D+01 -0.839932D+00 -0.111417D+01 -0.180820D-02
      2   0.516203D+01  0.167987D+01 -0.230997D+01  0.460641D+01  0.113969D-03
      3   0.448989D+01  0.213852D+01  0.314991D+01 -0.349224D+01  0.169423D-02
      4   0.506907D+00  0.632672D+01 -0.263399D+01 -0.331879D-02  0.111131D+01
      5  -0.230716D+01 -0.145921D+01  0.596982D+00  0.112543D+02  0.570683D-03
      6   0.465566D+01 -0.174499D+01  0.187402D+01  0.222363D-02  0.138217D+01
                21            22            23            24            25 
      1   0.183894D+01 -0.505832D-03 -0.540388D+00  0.142015D-02 -0.737221D+01
      2  -0.316757D+01 -0.184420D-02  0.326095D+01 -0.436896D-03  0.156012D+01
      3   0.132863D+01  0.235003D-02 -0.272056D+01 -0.983250D-03  0.581209D+01
      4   0.151263D-02 -0.404192D+01  0.162785D-02  0.386645D+00  0.418646D-02
      5  -0.634820D+01  0.441761D-02  0.460605D-02  0.299152D-04 -0.133910D+02
      6  -0.229685D-03  0.700852D+01  0.702095D-03 -0.356191D+01  0.882394D-03
                26            27            28            29            30 
      1  -0.524187D-03 -0.193051D+01 -0.948091D+01 -0.192959D+02  0.151731D+02
      2   0.129905D-02 -0.402319D-01  0.190655D+00  0.937158D+01 -0.919566D+01
      3  -0.774860D-03  0.197074D+01  0.929026D+01  0.992433D+01 -0.597748D+01
      4  -0.138799D+00 -0.505165D-03 -0.239212D+02 -0.170286D+01 -0.338114D+01
      5  -0.842469D-03  0.408908D+01  0.213029D+02 -0.431014D+01  0.133890D+02
      6  -0.247744D+01 -0.203990D-02 -0.514089D+01  0.117859D+01 -0.253428D+01
                31            32            33            34            35 
      1  -0.302313D+02  0.616262D+01 -0.417009D+00  0.268614D+02  0.354837D+01
      2   0.139542D+02 -0.664754D+01 -0.356081D+01 -0.120133D+02 -0.528836D+01
      3   0.162771D+02  0.484920D+00  0.397781D+01 -0.148481D+02  0.173998D+01
      4   0.743510D+01  0.113711D+02  0.147430D+02  0.383076D+01  0.104267D+02
      5  -0.524759D+01  0.170247D+02  0.969894D+01  0.919767D+01  0.711939D+01
      6  -0.529317D+00  0.167173D+01  0.173852D+01 -0.199649D+01  0.180774D+01
                36            37            38            39            40 
      1   0.177852D+02  0.841917D+00 -0.512568D+01 -0.617712D+01 -0.261275D+01
      2   0.225260D+01  0.712843D+01 -0.819208D+01  0.491807D+01 -0.804925D+01
      3  -0.200378D+02 -0.797035D+01  0.133178D+02  0.125904D+01  0.106620D+02
      4   0.603354D+01 -0.110650D+02  0.127097D+02 -0.129564D+02  0.155871D+02
      5  -0.141952D+02  0.567844D+01 -0.147396D+02 -0.164353D+02 -0.646373D+01
      6   0.387593D+01 -0.145192D+00  0.801383D+01  0.850234D+01  0.538082D+01
                41            42            43            44            45 
      1   0.113234D+02 -0.108538D+02  0.795118D+00 -0.203936D+02 -0.125763D+02
      2  -0.460503D+01  0.121503D+02  0.175314D+01  0.176011D+02  0.895363D+01
      3  -0.671832D+01 -0.129648D+01 -0.254826D+01  0.279248D+01  0.362270D+01
      4  -0.185797D+02 -0.333458D+01 -0.181209D+02 -0.128529D+01  0.526520D+01
      5  -0.729245D+01  0.970620D+00 -0.149498D+02  0.231749D+01  0.775390D+01
      6   0.666324D+01 -0.130034D+01  0.112748D+02 -0.405511D+01 -0.373383D+01
                46            47            48            49            50 
      1  -0.905164D+01 -0.147660D+02 -0.404795D+01 -0.752782D+01 -0.298828D+01
      2  -0.103083D+01  0.172286D+02  0.116562D+02  0.107055D+02 -0.145981D+02
      3   0.100825D+02 -0.246267D+01 -0.760825D+01 -0.317765D+01  0.175864D+02
      4  -0.730609D+01 -0.537505D+01  0.330476D+01 -0.782173D+01  0.159762D+02
      5  -0.133262D+02  0.175758D+01  0.118573D+02 -0.867080D+00  0.260259D+01
      6   0.151361D+02  0.756825D+01 -0.242510D+01  0.913382D+01 -0.728920D-01
                51            52            53            54            55 
      1  -0.955360D+01  0.119747D+01 -0.623045D+01  0.940953D+01 -0.909984D+00
      2  -0.117632D+01  0.411418D+01  0.316611D+01  0.125884D+02 -0.985188D+00
      3   0.107299D+02 -0.531165D+01  0.306434D+01 -0.219979D+02  0.189517D+01
      4   0.637288D+00  0.653111D+01 -0.351379D+01 -0.744433D+01 -0.376415D+01
      5  -0.336754D+01  0.995277D+01 -0.496618D+01 -0.316780D+01 -0.108694D+02
      6   0.766560D+01 -0.474160D+01  0.808154D+01  0.422174D+01 -0.178107D+01
                56            57            58            59            60 
      1  -0.184219D+01 -0.512664D+01  0.146518D+01 -0.150837D+01  0.546663D+01
      2  -0.119363D+01  0.175897D+01 -0.483593D+01  0.221689D+00 -0.229361D+01
      3   0.303582D+01  0.336767D+01  0.337076D+01  0.128668D+01 -0.317302D+01
      4  -0.128222D+01 -0.446808D+01 -0.686043D+01 -0.795827D+01  0.237767D+01
      5  -0.594066D+01 -0.148039D+01  0.261518D+01  0.108491D+01  0.336701D+01
      6  -0.174529D+01 -0.335587D+00 -0.393446D+01 -0.143767D+01 -0.761949D+00
                61            62            63            64            65 
      1  -0.965605D+01  0.382012D+01 -0.833177D+00  0.845862D+00  0.514803D+01
      2   0.516372D+01 -0.168076D+01 -0.231210D+01  0.713199D+01  0.817053D+01
      3   0.449233D+01 -0.213936D+01  0.314527D+01 -0.797785D+01 -0.133186D+02
      4  -0.506781D+00  0.632309D+01  0.263962D+01  0.110801D+02  0.127059D+02
      5  -0.229971D+01  0.146484D+01  0.602785D+00  0.566970D+01  0.147458D+02
      6  -0.465461D+01 -0.174245D+01 -0.187630D+01  0.143718D+00  0.802186D+01
                66            67            68            69            70 
      1  -0.618434D+01  0.262595D+01  0.113124D+02  0.108628D+02  0.787027D+00
      2   0.493022D+01  0.803343D+01 -0.459284D+01 -0.121594D+02  0.176356D+01
      3   0.125412D+01 -0.106594D+02 -0.671956D+01  0.129668D+01 -0.255059D+01
      4   0.129619D+02  0.155807D+02  0.185766D+02 -0.333312D+01  0.181229D+02
      5  -0.164214D+02  0.646861D+01 -0.729237D+01 -0.981813D+00 -0.149388D+02
      6  -0.849685D+01  0.538732D+01 -0.666930D+01 -0.131349D+01 -0.112710D+02
                71            72            73            74            75 
      1   0.203994D+02 -0.125537D+02 -0.944507D+01  0.192938D+02  0.151977D+02
      2  -0.176080D+02  0.893562D+01  0.171234D+00 -0.936877D+01 -0.920213D+01
      3  -0.279137D+01  0.361811D+01  0.927383D+01 -0.992508D+01 -0.599552D+01
      4  -0.128554D+01 -0.527768D+01  0.239162D+02 -0.170777D+01  0.336652D+01
      5  -0.233266D+01  0.776636D+01  0.213288D+02  0.429418D+01  0.133750D+02
      6  -0.407065D+01  0.374182D+01  0.513361D+01  0.117721D+01  0.252860D+01
                76            77            78            79            80 
      1   0.302246D+02  0.616633D+01  0.400626D+00  0.268878D+02 -0.356391D+01
      2  -0.139475D+02 -0.664877D+01  0.356313D+01 -0.120187D+02  0.528926D+01
      3  -0.162770D+02  0.482440D+00 -0.396375D+01 -0.148691D+02 -0.172535D+01
      4   0.743631D+01 -0.113871D+02  0.147441D+02 -0.384406D+01  0.104282D+02
      5   0.522862D+01  0.170258D+02 -0.968716D+01  0.917126D+01 -0.710918D+01
      6  -0.529378D+00 -0.167590D+01  0.174174D+01  0.199271D+01  0.180978D+01
                81            82            83            84            85 
      1   0.177610D+02  0.320952D+01 -0.309391D+01  0.150611D+01 -0.241137D+01
      2   0.227176D+01  0.489775D+01  0.103271D+02 -0.249906D+01  0.102645D+02
      3  -0.200327D+02 -0.810727D+01 -0.723320D+01  0.992952D+00 -0.785312D+01
      4  -0.602335D+01  0.105293D+02  0.172974D+02 -0.322422D+01  0.158803D+02
      5  -0.142269D+02 -0.268818D+01 -0.482798D+01  0.339152D+01 -0.524272D+01
      6  -0.386828D+01 -0.259125D+01 -0.688443D+01  0.338177D+01 -0.768137D+01
                86            87            88            89            90 
      1  -0.231061D+02  0.638978D+01  0.245585D+01  0.122869D+01 -0.586508D+01
      2   0.446426D+02 -0.668678D+01 -0.591841D+00  0.349746D+01  0.246113D+01
      3  -0.215365D+02  0.296993D+00 -0.186401D+01 -0.472615D+01  0.340395D+01
      4   0.307411D+02 -0.708720D+01  0.154924D+01  0.817478D+00  0.395151D+01
      5  -0.808226D+01  0.491546D+01  0.155061D+01  0.344635D+01 -0.232272D+01
      6  -0.208285D+02  0.110408D+02  0.203127D+01  0.722506D+01 -0.420668D+01
                91            92            93            94            95 
      1  -0.776778D+00 -0.412106D+00 -0.532544D+01 -0.281725D+01 -0.407828D+01
      2  -0.278186D+01  0.103946D+01 -0.335848D+01  0.202351D+01  0.139779D+01
      3   0.355864D+01 -0.627354D+00  0.868392D+01  0.793740D+00  0.268050D+01
      4  -0.119250D+01  0.200333D+01 -0.167362D+01  0.234943D+01  0.190522D+01
      5   0.184808D+01 -0.400882D+00  0.509878D+01  0.154271D+01 -0.190858D+01
      6   0.305354D+00  0.209059D+00 -0.299593D+01 -0.145562D+01 -0.106843D+01
                96            97            98            99           100 
      1  -0.374464D+01 -0.273014D+01  0.534443D+01 -0.315169D+02  0.597312D+01
      2  -0.645303D+01  0.570184D-01 -0.209544D+01 -0.213226D+02 -0.571292D+01
      3   0.101977D+02  0.267312D+01 -0.324900D+01  0.528394D+02 -0.260204D+00
      4  -0.204358D+01 -0.152933D+01 -0.274573D+01  0.654840D+00  0.288786D+01
      5  -0.189883D+01  0.549962D+01  0.125593D+01 -0.103729D+02  0.479302D+01
      6   0.544664D+01 -0.461956D+00  0.838727D+01 -0.161124D+02 -0.273218D+00
               101           102           103           104           105 
      1   0.217146D+01  0.713757D+01  0.405001D+01 -0.269557D+01  0.273409D+01
      2  -0.112381D+01 -0.251467D+01 -0.204893D+01  0.160049D+00  0.415038D+00
      3  -0.104765D+01 -0.462290D+01 -0.200108D+01  0.253552D+01 -0.314913D+01
      4   0.391610D+00  0.340143D+00  0.333696D+01 -0.286114D+01  0.338344D+01
      5   0.105901D+01  0.388824D+01  0.659873D+00  0.314444D+01 -0.420304D+01
      6  -0.805366D+00  0.456613D+00  0.160183D+01 -0.203068D+01  0.689529D+01
               106           107           108           109           110 
      1   0.646883D+01  0.111894D+01 -0.122936D+02  0.776440D+02  0.190709D+02
      2  -0.106112D+02  0.600343D+00 -0.219808D+02 -0.379820D+02 -0.894752D+01
      3   0.414235D+01 -0.171928D+01  0.342744D+02 -0.396620D+02 -0.101234D+02
      4  -0.164680D+01  0.613742D+01 -0.276737D+01  0.226580D+02  0.150384D+02
      5   0.190233D+02 -0.334101D+01  0.470431D+02  0.638281D+01  0.221173D+01
      6  -0.191968D+01  0.579631D+01 -0.699529D+01  0.256459D+01  0.146440D+01
               111           112           113           114           115 
      1   0.181903D+01  0.306294D+02  0.123446D+02  0.146420D+01 -0.142218D+02
      2  -0.215414D+01 -0.135676D+02 -0.299160D+01 -0.148147D+01  0.545881D+01
      3   0.335108D+00 -0.170619D+02 -0.935305D+01  0.172673D-01  0.876301D+01
      4   0.132227D+01  0.180018D+02  0.121834D+02 -0.710587D+00 -0.294554D+01
      5   0.966616D+01  0.421442D+01 -0.706381D+00  0.414986D+01  0.116885D+02
      6   0.798359D+00  0.188005D+01  0.121963D+01  0.165956D+01  0.550430D+00
               116           117           118           119           120 
      1  -0.251435D+01  0.688982D+01 -0.443482D+01 -0.970049D+01  0.228298D+01
      2   0.109198D+01 -0.579521D+01  0.475821D+01  0.137331D+02 -0.252938D+01
      3   0.142237D+01 -0.109461D+01 -0.323396D+00 -0.403262D+01  0.246399D+00
      4  -0.500580D+01  0.261257D+01  0.177262D+01 -0.232006D+01  0.175552D+01
      5   0.262505D+01  0.188597D+01 -0.288592D+00  0.298072D+01  0.510276D+00
      6   0.158567D+01 -0.700301D+00 -0.148022D+01 -0.283402D+01  0.176023D+01
               121           122           123           124           125 
      1  -0.621109D+01 -0.255529D+02  0.493944D+01  0.378612D+01  0.104462D+02
      2   0.525445D+01  0.400122D+02 -0.660574D+01 -0.280290D+01 -0.125373D+02
      3   0.956642D+00 -0.144594D+02  0.166630D+01 -0.983217D+00  0.209120D+01
      4   0.440734D+01 -0.199808D+02  0.179605D+01  0.814187D+00  0.491185D+01
      5   0.175949D+01  0.312712D+01 -0.506875D+01  0.369941D+01 -0.515588D+01
      6  -0.147338D+01 -0.647496D+01  0.717786D+01 -0.710893D+00  0.949620D+01
               126           127           128           129           130 
      1  -0.424571D+01  0.172668D+02 -0.497435D+01 -0.731162D+01 -0.194210D+00
      2   0.455385D+01 -0.106524D+02  0.197008D+01  0.508622D+01 -0.159679D+01
      3  -0.308136D+00 -0.661441D+01  0.300427D+01  0.222540D+01  0.179100D+01
      4  -0.422459D+01 -0.145260D+02  0.112438D+02  0.117243D+02  0.951026D+01
      5   0.214688D+01 -0.178282D+02  0.104980D+02  0.193579D+02  0.621934D+01
      6  -0.470166D+01  0.840005D+01 -0.685385D+01 -0.864812D+01 -0.578737D+01
               131           132           133           134           135 
      1  -0.200353D+01  0.586131D+00 -0.116906D+02  0.278227D+01  0.349998D+01
      2   0.552758D+01  0.154592D+01  0.827799D+01 -0.462641D+00 -0.100983D+02
      3  -0.352405D+01 -0.213205D+01  0.341264D+01 -0.231963D+01  0.659834D+01
      4  -0.131227D+02 -0.931681D+01  0.175728D+02 -0.159915D+02 -0.164624D+02
      5  -0.899204D+01 -0.660182D+01  0.231497D+02 -0.152362D+02 -0.307924D+02
      6   0.719011D+01  0.828314D+01 -0.123830D+02  0.132129D+02  0.183263D+02
               136           137           138           139           140 
      1  -0.777620D+00  0.411329D+00 -0.533070D+01  0.281838D+01 -0.407854D+01
      2  -0.278112D+01 -0.103815D+01 -0.336345D+01 -0.202178D+01  0.139602D+01
      3   0.355874D+01  0.626824D+00  0.869415D+01 -0.796593D+00  0.268252D+01
      4   0.119257D+01  0.200213D+01  0.167263D+01  0.234950D+01 -0.190346D+01
      5   0.185172D+01  0.400341D+00  0.509771D+01 -0.154255D+01 -0.190797D+01
      6  -0.306037D+00  0.210252D+00  0.299712D+01 -0.145514D+01  0.106567D+01
               141           142           143           144           145 
      1   0.374946D+01 -0.273465D+01 -0.533841D+01 -0.315160D+02  0.321000D+01
      2   0.645377D+01  0.518651D-01  0.209709D+01 -0.213225D+02  0.489597D+01
      3  -0.102032D+02  0.268279D+01  0.324132D+01  0.528385D+02 -0.810597D+01
      4  -0.204334D+01  0.152802D+01 -0.274412D+01 -0.651339D+00 -0.105296D+02
      5   0.189830D+01  0.549720D+01 -0.125351D+01 -0.103608D+02 -0.269167D+01
      6   0.544748D+01  0.464824D+00  0.838331D+01  0.160962D+02  0.259495D+01
               146           147           148           149           150 
      1   0.309459D+01  0.150632D+01  0.241110D+01 -0.231032D+02 -0.639438D+01
      2  -0.103241D+02 -0.250005D+01 -0.102598D+02  0.446266D+02  0.669185D+01
      3   0.722952D+01  0.993728D+00  0.784874D+01 -0.215234D+02 -0.297467D+00
      4   0.172954D+02  0.322806D+01  0.158772D+02 -0.307326D+02 -0.709213D+01
      5   0.483169D+01  0.339353D+01  0.524573D+01 -0.808738D+01 -0.491825D+01
      6  -0.688804D+01 -0.338408D+01 -0.768542D+01  0.208390D+02  0.110462D+02
               151           152           153           154           155 
      1   0.245485D+01 -0.123391D+01 -0.586674D+01 -0.442799D+01  0.969142D+01
      2  -0.593861D+00 -0.348810D+01  0.246063D+01  0.474969D+01 -0.137206D+02
      3  -0.186099D+01  0.472201D+01  0.340610D+01 -0.321701D+00  0.402920D+01
      4  -0.154531D+01  0.809907D+00 -0.395199D+01 -0.177240D+01 -0.231808D+01
      5   0.155107D+01 -0.344740D+01 -0.232470D+01 -0.287808D+00 -0.298156D+01
      6  -0.203219D+01  0.722761D+01  0.421072D+01  0.148310D+01 -0.283989D+01
               156           157           158           159           160 
      1   0.228831D+01  0.620534D+01 -0.255456D+02 -0.494973D+01  0.379055D+01
      2  -0.253404D+01 -0.524599D+01  0.400020D+02  0.661856D+01 -0.280453D+01
      3   0.245724D+00 -0.959350D+00 -0.144564D+02 -0.166883D+01 -0.986016D+00
      4  -0.175565D+01  0.441021D+01  0.199882D+02  0.180451D+01 -0.810365D+00
      5   0.509336D+00 -0.175804D+01  0.313585D+01  0.507282D+01  0.369914D+01
      6  -0.176085D+01 -0.147403D+01  0.649465D+01  0.718423D+01  0.711128D+00
               161           162           163           164           165 
      1  -0.104561D+02 -0.425296D+01  0.172496D+02  0.496953D+01 -0.730438D+01
      2   0.125487D+02  0.455906D+01 -0.106407D+02 -0.196518D+01  0.507755D+01
      3  -0.209260D+01 -0.306108D+00 -0.660886D+01 -0.300435D+01  0.222683D+01
      4   0.492409D+01  0.423062D+01  0.145184D+02  0.112436D+02 -0.117230D+02
      5   0.516222D+01  0.215456D+01 -0.178140D+02 -0.104971D+02  0.193461D+02
      6   0.950553D+01  0.471297D+01 -0.839720D+01 -0.685365D+01  0.864470D+01
               166           167           168           169           170 
      1   0.193754D+00 -0.200614D+01 -0.585636D+00 -0.116843D+02 -0.277923D+01
      2   0.159918D+01  0.553294D+01 -0.154656D+01  0.826865D+01  0.459213D+00
      3  -0.179294D+01 -0.352680D+01  0.213219D+01  0.341569D+01  0.232002D+01
      4   0.951312D+01  0.131317D+02 -0.931873D+01 -0.175732D+02 -0.159968D+02
      5  -0.622107D+01 -0.899365D+01  0.660674D+01  0.231396D+02  0.152417D+02
      6  -0.578869D+01 -0.719428D+01  0.828770D+01  0.123822D+02  0.132200D+02
               171           172           173           174           175 
      1   0.348911D+01  0.598081D+01 -0.217560D+01  0.713473D+01 -0.405351D+01
      2  -0.100871D+02 -0.571895D+01  0.112547D+01 -0.252032D+01  0.205092D+01
      3   0.659801D+01 -0.261861D+00  0.105013D+01 -0.461441D+01  0.200259D+01
      4   0.164665D+02 -0.288941D+01  0.395106D+00 -0.339649D+00  0.333932D+01
      5  -0.307900D+02  0.479988D+01 -0.105794D+01  0.390164D+01 -0.661134D+00
      6  -0.183328D+02  0.271973D+00 -0.803226D+00 -0.453395D+00  0.160322D+01
               176           177           178           179           180 
      1  -0.269160D+01 -0.272646D+01  0.647130D+01 -0.111295D+01 -0.122760D+02
      2   0.157588D+00 -0.414061D+00 -0.106209D+02 -0.597917D+00 -0.219927D+02
      3   0.253402D+01  0.314052D+01  0.414960D+01  0.171087D+01  0.342686D+02
      4   0.285745D+01  0.338419D+01  0.164357D+01  0.613826D+01  0.275648D+01
      5   0.314547D+01  0.419118D+01  0.190427D+02  0.332986D+01  0.470638D+02
      6   0.202491D+01  0.689203D+01  0.191677D+01  0.579331D+01  0.697809D+01
               181           182           183           184           185 
      1   0.776334D+02 -0.190745D+02  0.179572D+01 -0.306268D+02  0.123449D+02
      2  -0.379732D+02  0.894764D+01 -0.214132D+01  0.135639D+02 -0.299016D+01
      3  -0.396603D+02  0.101269D+02  0.345595D+00  0.170628D+02 -0.935471D+01
      4  -0.226644D+02  0.150404D+02 -0.131459D+01  0.180041D+02 -0.121843D+02
      5   0.634939D+01 -0.220308D+01  0.966266D+01 -0.420042D+01 -0.714219D+00
      6  -0.255952D+01  0.146219D+01 -0.797799D+00  0.187578D+01 -0.121595D+01
               186           187           188           189 
      1  -0.145557D+01 -0.142504D+02  0.252215D+01  0.689446D+01
      2   0.147749D+01  0.547384D+01 -0.109513D+01 -0.579660D+01
      3  -0.219221D-01  0.877658D+01 -0.142701D+01 -0.109786D+01
      4  -0.717589D+00  0.295569D+01 -0.501349D+01 -0.261634D+01
      5  -0.414949D+01  0.116922D+02 -0.262852D+01  0.187350D+01
      6   0.165917D+01 -0.550885D+00  0.158530D+01  0.700888D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 13:52:13 2021, MaxMem= 10737418240 cpu:           14410.5 elap:             902.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44982 -10.44923 -10.44910 -10.43787 -10.43785
 Alpha  occ. eigenvalues --  -10.43749 -10.43748 -10.43728 -10.43727  -1.03563
 Alpha  occ. eigenvalues --   -0.99364  -0.93726  -0.88677  -0.72744  -0.72542
 Alpha  occ. eigenvalues --   -0.70018  -0.67971  -0.63420  -0.61405  -0.59382
 Alpha  occ. eigenvalues --   -0.59207  -0.56543  -0.56074  -0.48582  -0.47200
 Alpha  occ. eigenvalues --   -0.47133  -0.44843  -0.42610  -0.40622  -0.40349
 Alpha  occ. eigenvalues --   -0.36383  -0.35863  -0.35638
 Alpha virt. eigenvalues --    0.04679   0.06365   0.06381   0.06956   0.08545
 Alpha virt. eigenvalues --    0.09012   0.10194   0.11602   0.12852   0.13833
 Alpha virt. eigenvalues --    0.15041   0.16008   0.16697   0.17001   0.18102
 Alpha virt. eigenvalues --    0.18757   0.19723   0.21083   0.21196   0.22046
 Alpha virt. eigenvalues --    0.22930   0.23796   0.24152   0.24373   0.24771
 Alpha virt. eigenvalues --    0.25647   0.26642   0.26699   0.27390   0.27755
 Alpha virt. eigenvalues --    0.27948   0.29952   0.30620   0.31744   0.32816
 Alpha virt. eigenvalues --    0.33585   0.35082   0.35354   0.35513   0.36241
 Alpha virt. eigenvalues --    0.37051   0.37741   0.37799   0.38439   0.38799
 Alpha virt. eigenvalues --    0.39090   0.39117   0.39424   0.39960   0.41138
 Alpha virt. eigenvalues --    0.41384   0.41818   0.42085   0.42316   0.43174
 Alpha virt. eigenvalues --    0.43662   0.44081   0.44215   0.45118   0.45542
 Alpha virt. eigenvalues --    0.45800   0.45842   0.46529   0.47203   0.47599
 Alpha virt. eigenvalues --    0.47732   0.48299   0.48791   0.48991   0.49765
 Alpha virt. eigenvalues --    0.50033   0.50311   0.51032   0.51207   0.51438
 Alpha virt. eigenvalues --    0.52169   0.52621   0.53463   0.53683   0.54322
 Alpha virt. eigenvalues --    0.54410   0.55315   0.55731   0.56453   0.56655
 Alpha virt. eigenvalues --    0.57171   0.58900   0.59622   0.59729   0.61152
 Alpha virt. eigenvalues --    0.61242   0.62330   0.63191   0.63427   0.63550
 Alpha virt. eigenvalues --    0.63846   0.67230   0.68369   0.70072   0.72226
 Alpha virt. eigenvalues --    0.72251   0.73227   0.74439   0.75559   0.77647
 Alpha virt. eigenvalues --    0.78198   0.78537   0.79431   0.80225   0.82466
 Alpha virt. eigenvalues --    0.86873   0.87432   0.88613   0.92340   0.93299
 Alpha virt. eigenvalues --    0.93962   0.95199   0.97961   1.00351   1.02028
 Alpha virt. eigenvalues --    1.03346   1.04006   1.05325   1.05779   1.05843
 Alpha virt. eigenvalues --    1.06992   1.07449   1.07753   1.08199   1.09400
 Alpha virt. eigenvalues --    1.11313   1.11592   1.14829   1.14842   1.16241
 Alpha virt. eigenvalues --    1.17877   1.20363   1.21482   1.22791   1.23338
 Alpha virt. eigenvalues --    1.24920   1.25770   1.26900   1.27199   1.29725
 Alpha virt. eigenvalues --    1.29906   1.30827   1.31292   1.34035   1.35364
 Alpha virt. eigenvalues --    1.42019   1.42786   1.46602   1.47926   1.52837
 Alpha virt. eigenvalues --    1.53621   1.57554   1.58669   1.61449   1.61639
 Alpha virt. eigenvalues --    1.63864   1.65116   1.71950   1.72691   1.75620
 Alpha virt. eigenvalues --    1.76734   1.78876   1.82913   1.83231   1.84811
 Alpha virt. eigenvalues --    1.86111   1.86901   1.87447   1.89437   1.90189
 Alpha virt. eigenvalues --    1.90523   1.94213   1.95342   1.96031   1.96489
 Alpha virt. eigenvalues --    1.99534   2.02522   2.03469   2.06545   2.09617
 Alpha virt. eigenvalues --    2.10340   2.10739   2.11030   2.11582   2.13114
 Alpha virt. eigenvalues --    2.15092   2.15152   2.18182   2.19681   2.21807
 Alpha virt. eigenvalues --    2.21941   2.23440   2.23457   2.26730   2.27952
 Alpha virt. eigenvalues --    2.30188   2.30810   2.36712   2.36896   2.45053
 Alpha virt. eigenvalues --    2.46819   2.46921   2.47367   2.49749   2.51558
 Alpha virt. eigenvalues --    2.53590   2.57098   2.57291   2.58195   2.58339
 Alpha virt. eigenvalues --    2.60295   2.63948   2.66769   2.66822   2.70925
 Alpha virt. eigenvalues --    2.73005   2.74269   2.84315   2.84813   2.85194
 Alpha virt. eigenvalues --    2.85654   2.93539   2.99825   3.06209   3.07156
 Alpha virt. eigenvalues --    3.07338   3.08762   3.13907   3.14605   3.16685
 Alpha virt. eigenvalues --    3.18600   3.22499   3.27866   3.29087   3.32794
 Alpha virt. eigenvalues --    3.33561   3.35249   3.35631
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.333474  -0.169537  -0.147924  -0.078364  -0.050845  -0.083482
     2  C   -0.169537   7.105969   0.093412  -0.017707  -0.128078   0.003759
     3  C   -0.147924   0.093412   6.904098  -0.084133  -0.032122  -0.147544
     4  C   -0.078364  -0.017707  -0.084133   5.104729   0.022926  -0.034398
     5  C   -0.050845  -0.128078  -0.032122   0.022926   5.098606   0.021109
     6  C   -0.083482   0.003759  -0.147544  -0.034398   0.021109   5.332506
     7  C    0.003820  -0.201033   0.093006   0.007627  -0.035575  -0.168972
     8  C    0.021115  -0.035588  -0.032126   0.001663  -0.000154  -0.050722
     9  C   -0.034393   0.007606  -0.084160  -0.000565   0.001657  -0.078510
    10  H    0.291835  -0.034996  -0.006088  -0.058644   0.041815  -0.042315
    11  H   -0.025956   0.138335   0.118970   0.038904  -0.058879   0.020482
    12  H    0.030069   0.086043  -0.036159   0.033811   0.152296   0.019473
    13  H   -0.051746  -0.020658  -0.009631   0.353898  -0.017878  -0.005020
    14  H    0.036893   0.027914  -0.030499   0.145570   0.043377  -0.003377
    15  H   -0.056186   0.026861  -0.003414  -0.024064   0.347499   0.000132
    16  H    0.020561  -0.015870   0.118752   0.020058  -0.003516  -0.025954
    17  H   -0.042334  -0.006562  -0.005939  -0.004600   0.000758   0.291788
    18  H   -0.003387   0.026776  -0.030403  -0.000706   0.004003   0.036841
    19  H    0.000134  -0.004824  -0.003405   0.000176   0.000346  -0.056168
    20  H    0.019467  -0.013507  -0.036171   0.000507   0.000266   0.030065
    21  H   -0.005019   0.001221  -0.009609  -0.000111  -0.000165  -0.051776
               7          8          9         10         11         12
     1  C    0.003820   0.021115  -0.034393   0.291835  -0.025956   0.030069
     2  C   -0.201033  -0.035588   0.007606  -0.034996   0.138335   0.086043
     3  C    0.093006  -0.032126  -0.084160  -0.006088   0.118970  -0.036159
     4  C    0.007627   0.001663  -0.000565  -0.058644   0.038904   0.033811
     5  C   -0.035575  -0.000154   0.001657   0.041815  -0.058879   0.152296
     6  C   -0.168972  -0.050722  -0.078510  -0.042315   0.020482   0.019473
     7  C    7.105811  -0.128198  -0.017566  -0.006572  -0.015704  -0.013503
     8  C   -0.128198   5.098732   0.022819   0.000759  -0.003520   0.000267
     9  C   -0.017566   0.022819   5.104806  -0.004595   0.020034   0.000507
    10  H   -0.006572   0.000759  -0.004595   1.261721  -0.350934  -0.000020
    11  H   -0.015704  -0.003520   0.020034  -0.350934   1.314552  -0.001623
    12  H   -0.013503   0.000267   0.000507  -0.000020  -0.001623   1.204468
    13  H    0.001220  -0.000165  -0.000110   0.012492  -0.001447  -0.267570
    14  H    0.026774   0.004015  -0.000706  -0.000735  -0.001809  -0.034105
    15  H   -0.004822   0.000341   0.000175  -0.001571   0.014739   0.025861
    16  H    0.138398  -0.058883   0.038914  -0.005188   0.001162  -0.006442
    17  H   -0.035131   0.041850  -0.058715   0.023373  -0.005193   0.001127
    18  H    0.027880   0.043512   0.145503  -0.000158   0.000835   0.000393
    19  H    0.026909   0.347335  -0.023944   0.000251  -0.000728   0.000121
    20  H    0.086065   0.152197   0.033966   0.001127  -0.006425   0.000040
    21  H   -0.020707  -0.017786   0.353820   0.000214   0.001495  -0.000006
              13         14         15         16         17         18
     1  C   -0.051746   0.036893  -0.056186   0.020561  -0.042334  -0.003387
     2  C   -0.020658   0.027914   0.026861  -0.015870  -0.006562   0.026776
     3  C   -0.009631  -0.030499  -0.003414   0.118752  -0.005939  -0.030403
     4  C    0.353898   0.145570  -0.024064   0.020058  -0.004600  -0.000706
     5  C   -0.017878   0.043377   0.347499  -0.003516   0.000758   0.004003
     6  C   -0.005020  -0.003377   0.000132  -0.025954   0.291788   0.036841
     7  C    0.001220   0.026774  -0.004822   0.138398  -0.035131   0.027880
     8  C   -0.000165   0.004015   0.000341  -0.058883   0.041850   0.043512
     9  C   -0.000110  -0.000706   0.000175   0.038914  -0.058715   0.145503
    10  H    0.012492  -0.000735  -0.001571  -0.005188   0.023373  -0.000158
    11  H   -0.001447  -0.001809   0.014739   0.001162  -0.005193   0.000835
    12  H   -0.267570  -0.034105   0.025861  -0.006442   0.001127   0.000393
    13  H    1.149203   0.030402  -0.049991   0.001497   0.000214  -0.000115
    14  H    0.030402   1.226592  -0.254571   0.000838  -0.000158  -0.001941
    15  H   -0.049991  -0.254571   1.100020  -0.000728   0.000251  -0.000162
    16  H    0.001497   0.000838  -0.000728   1.315527  -0.351296  -0.001816
    17  H    0.000214  -0.000158   0.000251  -0.351296   1.262178  -0.000735
    18  H   -0.000115  -0.001941  -0.000162  -0.001816  -0.000735   1.226336
    19  H    0.000011  -0.000164  -0.000121   0.014749  -0.001570  -0.254411
    20  H   -0.000006   0.000394   0.000120  -0.001617  -0.000025  -0.034108
    21  H    0.000004  -0.000115   0.000011  -0.001455   0.012503   0.030405
              19         20         21
     1  C    0.000134   0.019467  -0.005019
     2  C   -0.004824  -0.013507   0.001221
     3  C   -0.003405  -0.036171  -0.009609
     4  C    0.000176   0.000507  -0.000111
     5  C    0.000346   0.000266  -0.000165
     6  C   -0.056168   0.030065  -0.051776
     7  C    0.026909   0.086065  -0.020707
     8  C    0.347335   0.152197  -0.017786
     9  C   -0.023944   0.033966   0.353820
    10  H    0.000251   0.001127   0.000214
    11  H   -0.000728  -0.006425   0.001495
    12  H    0.000121   0.000040  -0.000006
    13  H    0.000011  -0.000006   0.000004
    14  H   -0.000164   0.000394  -0.000115
    15  H   -0.000121   0.000120   0.000011
    16  H    0.014749  -0.001617  -0.001455
    17  H   -0.001570  -0.000025   0.012503
    18  H   -0.254411  -0.034108   0.030405
    19  H    1.099771   0.025837  -0.049956
    20  H    0.025837   1.204354  -0.267550
    21  H   -0.049956  -0.267550   1.149229
 Mulliken charges:
               1
     1  C    0.991802
     2  C   -0.869536
     3  C   -0.628910
     4  C    0.573425
     5  C    0.592555
     6  C    0.992082
     7  C   -0.869725
     8  C    0.592537
     9  C    0.573458
    10  H   -0.121769
    11  H   -0.197290
    12  H   -0.195050
    13  H   -0.124604
    14  H   -0.214589
    15  H   -0.120377
    16  H   -0.197691
    17  H   -0.121785
    18  H   -0.214541
    19  H   -0.120348
    20  H   -0.194994
    21  H   -0.124648
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.672744
     2  C   -0.869536
     3  C   -0.628910
     4  C    0.253771
     5  C    0.257588
     6  C    0.672606
     7  C   -0.869725
     8  C    0.257648
     9  C    0.253815
 Electronic spatial extent (au):  <R**2>=           1250.1650
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0009    Z=             -0.0000  Tot=              0.0009
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.9588   YY=            -54.6183   ZZ=            -53.4769
   XY=              0.0006   XZ=             -0.8828   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6074   YY=             -0.2670   ZZ=              0.8745
   XY=              0.0006   XZ=             -0.8828   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0018  YYY=              0.8845  ZZZ=             -0.0009  XYY=             -0.0015
  XXY=              5.5197  XXZ=             -0.0002  XZZ=             -0.0004  YZZ=             -1.3516
  YYZ=             -0.0006  XYZ=              0.9528
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1119.0856 YYYY=           -342.5572 ZZZZ=           -242.0160 XXXY=             -0.0013
 XXXZ=            -14.0336 YYYX=              0.0080 YYYZ=              0.0049 ZZZX=              3.0545
 ZZZY=             -0.0037 XXYY=           -255.0307 XXZZ=           -227.4971 YYZZ=           -104.0652
 XXYZ=              0.0036 YYXZ=             -7.1130 ZZXY=              0.0001
 N-N= 4.312966651839D+02 E-N=-1.669421273622D+03  KE= 3.450366342115D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 13:52:14 2021, MaxMem= 10737418240 cpu:               5.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6307   -0.6347       -0.0001   -0.0001
 2      0.6307    0.6347       -0.0001   -0.0001      -11.2534  -11.2523
 3      0.0001    0.0001       13.7341   13.7402        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0001    0.0001
 5     -2.4806   -2.4880       -0.0001   -0.0001       -0.6351   -0.6347
 6     -0.0001   -0.0001        0.6351    0.6347       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9042    1.9042       -0.0003   -0.0003
 2      0.0003    0.0003        0.0000    0.0000       -0.0003   -0.0003
 3      0.0003    0.0003        1.9042    1.9042        0.0000    0.0000
 4      1.9042    1.9042       -0.0003   -0.0003      -33.7568  -33.7568
 5      0.0003    0.0003       41.2206   41.2206        0.0003    0.0003
 6     -7.4639   -7.4639       -0.0003   -0.0003       -1.9042   -1.9042
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        2.4476    2.5390        0.0010    0.0004
 2     -2.2422   -2.5390        0.0000    0.0004       45.1978   45.0090
 3      0.0000   -0.0004      -55.1392  -54.9608        0.0001   -0.0004
 4     -0.0008   -0.0004       -0.0700    0.0000       -0.0002   -0.0004
 5     10.5626    9.9518        0.0005    0.0004        2.4772    2.5390
 6      0.0008    0.0004       -2.5409   -2.5390       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0004    0.0000       25.8734   25.8172        0.0039    0.0022
 2    -26.9746  -25.8172        0.0010    0.0021       20.4179   20.7646
 3     -0.0022   -0.0022      -22.8569  -21.3440       -0.0027   -0.0021
 4     -0.0025   -0.0021        0.2669    0.0000       -0.0024   -0.0022
 5     -0.0173    0.5794       -0.0020    0.0022       24.8080   25.8172
 6      0.0020    0.0021      -25.8513  -25.8172       -0.0002    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0078   -0.0078       42.1969   41.9512        0.0090    0.0096
 2     -0.0130   -0.0133       56.1704   55.5828        0.0089    0.0096
 3     -0.0141   -0.0133       42.6633   41.9512        0.0062    0.0068
 4    -14.3809  -13.6316        0.0045    0.0054        3.7820    3.6439
 5     -0.0009   -0.0028      -12.1513  -11.4235       -0.0060   -0.0054
 6      7.4436    7.7796       -0.0028    0.0028       13.0616   13.6316
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.4660                 0.0996                 0.5366
  Dep-P Fr= 1--      0.4804                 0.7500                 0.3269
  Dep-U Fr= 1--      0.6490                 0.8571                 0.4927
 Alpha2 Fr= 1--      0.0079                 0.0000                 0.0051
 Beta2  Fr= 1--      0.1586                 0.0142                 0.0441
 AlphaG Fr= 1--      0.0003                -0.0000                -0.0167
 Gamma2 Fr= 1--     -0.4688                -0.1864                -0.2668
 Delta2 Fr= 1--     -0.1450                -0.1560                -0.0998
 Raman1 Fr= 1--       5.864                  0.398                  2.146
 ROA1   Fr= 1--     -49.647                -22.885                -28.809
 CID1   Fr= 1--      -8.466                -57.428                -13.423
 Raman2 Fr= 1--       1.903                  0.171                  0.529
 ROA2   Fr= 1--     -10.093                 -3.225                 -5.605
 CID2   Fr= 1--      -5.304                -18.882                -10.602
 Raman3 Fr= 1--       3.806                  0.342                  1.057
 ROA3   Fr= 1--     -49.647                -22.885                -28.809
 CID3   Fr= 1--     -13.045                -67.000                -27.244
 RC180  Fr= 1--       0.298                  0.714                 -0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.8043                 1.1541                 0.0797
  Dep-P Fr= 1--      0.4804                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6490                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0151                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3033                 0.1649                 0.0114
 AlphaG Fr= 1--      0.0048                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2511                 0.9186                -0.0257
 Delta2 Fr= 1--     -0.1074                 0.2120                -0.0528
 Raman1 Fr= 1--      11.217                  4.616                  0.319
 ROA1   Fr= 1--     -27.542                 94.971                 -4.162
 CID1   Fr= 1--      -2.455                 20.572                -13.055
 Raman2 Fr= 1--       3.640                  1.978                  0.137
 ROA2   Fr= 1--      -5.166                 20.350                 -0.195
 CID2   Fr= 1--      -1.419                 10.286                 -1.428
 Raman3 Fr= 1--       7.280                  3.957                  0.273
 ROA3   Fr= 1--     -27.542                 94.971                 -4.162
 CID3   Fr= 1--      -3.783                 24.001                -15.231
 RC180  Fr= 1--       0.298                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.4844                 3.0392                 4.0912
  Dep-P Fr= 1--      0.7478                 0.7500                 0.5879
  Dep-U Fr= 1--      0.8557                 0.8571                 0.7405
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0124
 Beta2  Fr= 1--      0.3543                 0.4342                 0.5049
 AlphaG Fr= 1--      0.0012                 0.0000                 0.0039
 Gamma2 Fr= 1--     -1.2951                -0.1043                 1.7168
 Delta2 Fr= 1--      0.2409                -0.0241                 0.4345
 Raman1 Fr= 1--       9.938                 12.157                 16.365
 ROA1   Fr= 1--    -116.626                -10.788                178.712
 CID1   Fr= 1--     -11.736                 -0.887                 10.920
 Raman2 Fr= 1--       4.252                  5.210                  6.059
 ROA2   Fr= 1--     -33.010                 -2.312                 37.727
 CID2   Fr= 1--      -7.764                 -0.444                  6.227
 Raman3 Fr= 1--       8.504                 10.420                 12.118
 ROA3   Fr= 1--    -116.626                -10.788                178.712
 CID3   Fr= 1--     -13.715                 -1.035                 14.748
 RC180  Fr= 1--       0.711                  0.714                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     20.8837                15.7648                10.6567
  Dep-P Fr= 1--      0.1792                 0.7500                 0.6006
  Dep-U Fr= 1--      0.3039                 0.8571                 0.7505
 Alpha2 Fr= 1--      0.2995                 0.0000                 0.0295
 Beta2  Fr= 1--      1.0579                 2.2521                 1.3330
 AlphaG Fr= 1--      0.0940                 0.0000                 0.0040
 Gamma2 Fr= 1--     -0.4761                -0.3561                 0.5047
 Delta2 Fr= 1--     -0.9201                 3.2667                -2.3852
 Raman1 Fr= 1--      83.535                 63.059                 42.627
 ROA1   Fr= 1--     -75.144                 70.347                -27.875
 CID1   Fr= 1--      -0.900                  1.116                 -0.654
 Raman2 Fr= 1--      12.694                 27.025                 15.996
 ROA2   Fr= 1--      -4.065                -34.681                 31.194
 CID2   Fr= 1--      -0.320                 -1.283                  1.950
 Raman3 Fr= 1--      25.388                 54.051                 31.991
 ROA3   Fr= 1--     -75.144                 70.347                -27.875
 CID3   Fr= 1--      -2.960                  1.302                 -0.871
 RC180  Fr= 1--      -0.392                  0.714                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      1.1294                 1.0959                 3.5448
  Dep-P Fr= 1--      0.7500                 0.6327                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7750                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0000
 Beta2  Fr= 1--      0.1613                 0.1416                 0.5064
 AlphaG Fr= 1--     -0.0000                 0.0069                 0.0000
 Gamma2 Fr= 1--      0.6446                -0.9215                -1.4931
 Delta2 Fr= 1--     -0.0531                -0.1038                -2.2582
 Raman1 Fr= 1--       4.518                  4.384                 14.179
 ROA1   Fr= 1--      60.183                -91.789               -215.597
 CID1   Fr= 1--      13.322                -20.939                -15.205
 Raman2 Fr= 1--       1.936                  1.699                  6.077
 ROA2   Fr= 1--      15.895                -21.286                -17.768
 CID2   Fr= 1--       8.210                -12.531                 -2.924
 Raman3 Fr= 1--       3.872                  3.397                 12.153
 ROA3   Fr= 1--      60.183                -91.789               -215.597
 CID3   Fr= 1--      15.542                -27.017                -17.740
 RC180  Fr= 1--       0.714                  0.550                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      9.5660                 8.6866                 2.7823
  Dep-P Fr= 1--      0.7301                 0.7500                 0.6916
  Dep-U Fr= 1--      0.8440                 0.8571                 0.8177
 Alpha2 Fr= 1--      0.0033                 0.0000                 0.0028
 Beta2  Fr= 1--      1.3456                 1.2409                 0.3792
 AlphaG Fr= 1--      0.0051                -0.0000                 0.0088
 Gamma2 Fr= 1--     -4.6474                -1.2224                 6.5863
 Delta2 Fr= 1--     -2.3515                -1.1505                 3.7980
 Raman1 Fr= 1--      38.264                 34.746                 11.129
 ROA1   Fr= 1--    -521.399               -154.167                753.821
 CID1   Fr= 1--     -13.626                 -4.437                 67.733
 Raman2 Fr= 1--      16.147                 14.891                  4.550
 ROA2   Fr= 1--     -92.726                -20.133                127.687
 CID2   Fr= 1--      -5.743                 -1.352                 28.063
 Raman3 Fr= 1--      32.293                 29.783                  9.100
 ROA3   Fr= 1--    -521.399               -154.167                753.821
 CID3   Fr= 1--     -16.146                 -5.176                 82.836
 RC180  Fr= 1--       0.688                  0.714                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.3196                 2.3669                 3.7619
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7455
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8542
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0457                 0.3381                 0.5356
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0023
 Gamma2 Fr= 1--      1.1163                 2.8062                -0.8936
 Delta2 Fr= 1--      0.2225                 1.2416                -0.8530
 Raman1 Fr= 1--       1.278                  9.468                 15.047
 ROA1   Fr= 1--     114.283                309.124               -113.084
 CID1   Fr= 1--      89.397                 32.650                 -7.515
 Raman2 Fr= 1--       0.548                  4.058                  6.427
 ROA2   Fr= 1--      25.011                 57.416                -14.624
 CID2   Fr= 1--      45.652                 14.150                 -2.275
 Raman3 Fr= 1--       1.096                  8.115                 12.853
 ROA3   Fr= 1--     114.283                309.124               -113.084
 CID3   Fr= 1--     104.297                 38.092                 -8.798
 RC180  Fr= 1--       0.714                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     55.0578                 0.4415                 2.3673
  Dep-P Fr= 1--      0.0335                 0.7500                 0.2434
  Dep-U Fr= 1--      0.0648                 0.8571                 0.3916
 Alpha2 Fr= 1--      1.1310                 0.0000                 0.0286
 Beta2  Fr= 1--      0.5950                 0.0631                 0.1545
 AlphaG Fr= 1--      0.0514                -0.0000                 0.0139
 Gamma2 Fr= 1--     -2.6259                -0.4685                -1.3228
 Delta2 Fr= 1--     -0.6851                -0.1508                -0.7093
 Raman1 Fr= 1--     220.231                  1.766                  9.469
 ROA1   Fr= 1--    -274.010                -49.801               -149.689
 CID1   Fr= 1--      -1.244                -28.198                -15.808
 Raman2 Fr= 1--       7.140                  0.757                  1.854
 ROA2   Fr= 1--     -57.541                -10.037                -26.074
 CID2   Fr= 1--      -8.059                -13.260                -14.065
 Raman3 Fr= 1--      14.280                  1.514                  3.708
 ROA3   Fr= 1--    -274.010                -49.801               -149.689
 CID3   Fr= 1--     -19.189                -32.898                -40.373
 RC180  Fr= 1--      -0.870                  0.714                 -0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      1.6928                 0.9106                 2.4213
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6288
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7721
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0053
 Beta2  Fr= 1--      0.2418                 0.1301                 0.3116
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0283
 Gamma2 Fr= 1--     -0.2292                 0.7712                 0.8803
 Delta2 Fr= 1--      1.5007                 0.2653                -0.0779
 Raman1 Fr= 1--       6.771                  3.642                  9.685
 ROA1   Fr= 1--      26.024                 82.522                 82.018
 CID1   Fr= 1--       3.843                 22.657                  8.468
 Raman2 Fr= 1--       2.902                  1.561                  3.739
 ROA2   Fr= 1--     -17.506                 16.386                 21.751
 CID2   Fr= 1--      -6.032                 10.497                  5.818
 Raman3 Fr= 1--       5.804                  3.122                  7.478
 ROA3   Fr= 1--      26.024                 82.522                 82.018
 CID3   Fr= 1--       4.484                 26.433                 10.968
 RC180  Fr= 1--       0.714                  0.714                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4264                 1.5379                 1.0221
  Dep-P Fr= 1--      0.7500                 0.6100                 0.1730
  Dep-U Fr= 1--      0.8571                 0.7578                 0.2950
 Alpha2 Fr= 1--      0.0000                 0.0040                 0.0149
 Beta2  Fr= 1--      0.0609                 0.1942                 0.0503
 AlphaG Fr= 1--     -0.0000                 0.0085                -0.0219
 Gamma2 Fr= 1--      0.2076                -0.5519                 1.0242
 Delta2 Fr= 1--     -0.1136                -0.4958                -0.0255
 Raman1 Fr= 1--       1.705                  6.152                  4.089
 ROA1   Fr= 1--      16.299                -68.851                 97.503
 CID1   Fr= 1--       9.557                -11.192                 23.848
 Raman2 Fr= 1--       0.731                  2.331                  0.603
 ROA2   Fr= 1--       5.892                 -9.280                 24.784
 CID2   Fr= 1--       8.061                 -3.981                 41.094
 Raman3 Fr= 1--       1.462                  4.661                  1.206
 ROA3   Fr= 1--      16.299                -68.851                 97.503
 CID3   Fr= 1--      11.150                -14.770                 80.834
 RC180  Fr= 1--       0.714                  0.516                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.4949                 2.3686                 1.0164
  Dep-P Fr= 1--      0.7500                 0.7406                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8510                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0707                 0.3359                 0.1452
 AlphaG Fr= 1--     -0.0000                -0.0204                 0.0000
 Gamma2 Fr= 1--     -1.8604                 0.2288                -0.1356
 Delta2 Fr= 1--     -0.6760                 0.4630                 1.5901
 Raman1 Fr= 1--       1.979                  9.474                  4.065
 ROA1   Fr= 1--    -200.232                 36.784                 37.868
 CID1   Fr= 1--    -101.154                  3.882                  9.314
 Raman2 Fr= 1--       0.848                  4.031                  1.742
 ROA2   Fr= 1--     -39.242                  1.788                -15.975
 CID2   Fr= 1--     -46.257                  0.444                 -9.169
 Raman3 Fr= 1--       1.697                  8.062                  3.485
 ROA3   Fr= 1--    -200.232                 36.784                 37.868
 CID3   Fr= 1--    -118.013                  4.562                 10.867
 RC180  Fr= 1--       0.714                  0.702                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      1.3133                 0.1593                 1.1844
  Dep-P Fr= 1--      0.5047                 0.7046                 0.1614
  Dep-U Fr= 1--      0.6708                 0.8267                 0.2780
 Alpha2 Fr= 1--      0.0063                 0.0001                 0.0178
 Beta2  Fr= 1--      0.1468                 0.0219                 0.0549
 AlphaG Fr= 1--      0.0045                 0.0001                -0.0560
 Gamma2 Fr= 1--     -1.3053                 0.7864                 0.9574
 Delta2 Fr= 1--     -0.8477                 0.0758                -0.0899
 Raman1 Fr= 1--       5.253                  0.637                  4.737
 ROA1   Fr= 1--    -152.435                 77.921                 89.038
 CID1   Fr= 1--     -29.019                122.305                 18.794
 Raman2 Fr= 1--       1.762                  0.263                  0.659
 ROA2   Fr= 1--     -24.545                 18.268                 23.697
 CID2   Fr= 1--     -13.931                 69.367                 35.986
 Raman3 Fr= 1--       3.524                  0.527                  1.317
 ROA3   Fr= 1--    -152.435                 77.921                 89.038
 CID3   Fr= 1--     -43.258                147.941                 67.606
 RC180  Fr= 1--       0.342                  0.653                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      1.8441                12.4186                14.4871
  Dep-P Fr= 1--      0.7500                 0.3170                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4814                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1210                 0.0000
 Beta2  Fr= 1--      0.2634                 0.9963                 2.0696
 AlphaG Fr= 1--      0.0000                 0.0487                -0.0000
 Gamma2 Fr= 1--      1.5728                 5.4652                -6.4151
 Delta2 Fr= 1--      1.0827                 1.1545                -1.9380
 Raman1 Fr= 1--       7.376                 49.675                 57.948
 ROA1   Fr= 1--     185.632                561.608               -677.863
 CID1   Fr= 1--      25.166                 11.306                -11.698
 Raman2 Fr= 1--       3.161                 11.956                 24.835
 ROA2   Fr= 1--      29.085                121.930               -138.458
 CID2   Fr= 1--       9.200                 10.198                 -5.575
 Raman3 Fr= 1--       6.322                 23.911                 49.670
 ROA3   Fr= 1--     185.632                561.608               -677.863
 CID3   Fr= 1--      29.361                 23.487                -13.647
 RC180  Fr= 1--       0.714                 -0.037                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      2.8884                17.8219                 5.9921
  Dep-P Fr= 1--      0.7500                 0.7495                 0.3338
  Dep-U Fr= 1--      0.8571                 0.8568                 0.5005
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0554
 Beta2  Fr= 1--      0.4126                 2.5450                 0.4999
 AlphaG Fr= 1--      0.0000                 0.0075                -0.0553
 Gamma2 Fr= 1--      2.0817                 1.0145                -0.7092
 Delta2 Fr= 1--     -0.1230                 2.1115                -0.4789
 Raman1 Fr= 1--      11.554                 71.288                 23.969
 ROA1   Fr= 1--     195.911                164.962                -83.411
 CID1   Fr= 1--      16.957                  2.314                 -3.480
 Raman2 Fr= 1--       4.952                 30.540                  5.998
 ROA2   Fr= 1--      50.946                  7.456                -13.190
 CID2   Fr= 1--      10.289                  0.244                 -2.199
 Raman3 Fr= 1--       9.903                 61.079                 11.997
 ROA3   Fr= 1--     195.911                164.962                -83.411
 CID3   Fr= 1--      19.783                  2.701                 -6.953
 RC180  Fr= 1--       0.714                  0.714                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3985                 4.1671                 2.2304
  Dep-P Fr= 1--      0.7500                 0.2065                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3423                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0556                 0.0000
 Beta2  Fr= 1--      0.0569                 0.2378                 0.3186
 AlphaG Fr= 1--     -0.0000                -0.0402                -0.0000
 Gamma2 Fr= 1--      0.0299                 0.1668                 0.0198
 Delta2 Fr= 1--     -0.0122                -0.0725                 1.2916
 Raman1 Fr= 1--       1.594                 16.668                  8.922
 ROA1   Fr= 1--       2.484                 13.690                 43.236
 CID1   Fr= 1--       1.559                  0.821                  4.846
 Raman2 Fr= 1--       0.683                  2.853                  3.824
 ROA2   Fr= 1--       0.816                  4.582                 -9.856
 CID2   Fr= 1--       1.195                  1.606                 -2.578
 Raman3 Fr= 1--       1.366                  5.706                  7.647
 ROA3   Fr= 1--       2.484                 13.690                 43.236
 CID3   Fr= 1--       1.818                  2.399                  5.654
 RC180  Fr= 1--       0.714                 -0.315                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     23.3784               308.2187                21.6699
  Dep-P Fr= 1--      0.7399                 0.0306                 0.7479
  Dep-U Fr= 1--      0.8505                 0.0593                 0.8558
 Alpha2 Fr= 1--      0.0040                 6.3751                 0.0008
 Beta2  Fr= 1--      3.3139                 3.0485                 3.0907
 AlphaG Fr= 1--     -0.0006                -0.9337                 0.0006
 Gamma2 Fr= 1--    -23.8626                21.2173               -12.7343
 Delta2 Fr= 1--      1.0789                 6.3631               -12.6685
 Raman1 Fr= 1--      93.514               1232.875                 86.679
 ROA1   Fr= 1--   -2256.285               2240.481              -1627.884
 CID1   Fr= 1--     -24.128                  1.817                -18.780
 Raman2 Fr= 1--      39.767                 36.582                 37.089
 ROA2   Fr= 1--    -581.333                458.311               -204.274
 CID2   Fr= 1--     -14.618                 12.528                 -5.508
 Raman3 Fr= 1--      79.534                 73.164                 74.177
 ROA3   Fr= 1--   -2256.285               2240.481              -1627.884
 CID3   Fr= 1--     -28.369                 30.623                -21.946
 RC180  Fr= 1--       0.701                 -0.881                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    166.4419                 0.6490               469.4545
  Dep-P Fr= 1--      0.2363                 0.4011                 0.0162
  Dep-U Fr= 1--      0.3823                 0.5726                 0.0319
 Alpha2 Fr= 1--      2.0490                 0.0048                10.0439
 Beta2  Fr= 1--     10.6054                 0.0619                 2.4969
 AlphaG Fr= 1--      1.0695                 0.0006                 0.5817
 Gamma2 Fr= 1--     17.5081                 1.8592                -7.9647
 Delta2 Fr= 1--      6.9771                 1.6481                 6.2352
 Raman1 Fr= 1--     665.768                  2.596               1877.818
 ROA1   Fr= 1--    1904.048                231.220               -565.087
 CID1   Fr= 1--       2.860                 89.065                 -0.301
 Raman2 Fr= 1--     127.264                  0.743                 29.963
 ROA2   Fr= 1--     364.378                 31.435               -241.034
 CID2   Fr= 1--       2.863                 42.294                 -8.044
 Raman3 Fr= 1--     254.529                  1.487                 59.926
 ROA3   Fr= 1--    1904.048                231.220               -565.087
 CID3   Fr= 1--       7.481                155.544                 -9.430
 RC180  Fr= 1--      -0.235                  0.145                 -0.936
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    139.4013                30.1685                62.1110
  Dep-P Fr= 1--      0.7338                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8465                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0386                 0.0000                 0.0000
 Beta2  Fr= 1--     19.6663                 4.3098                 8.8730
 AlphaG Fr= 1--     -0.0364                -0.0000                -0.0000
 Gamma2 Fr= 1--      6.6443               -17.3824                34.4063
 Delta2 Fr= 1--     -4.7608                -1.9131                48.3366
 Raman1 Fr= 1--     557.605                120.674                248.444
 ROA1   Fr= 1--     485.509              -1729.934               4849.779
 CID1   Fr= 1--       0.871                -14.336                 19.521
 Raman2 Fr= 1--     235.995                 51.717                106.476
 ROA2   Fr= 1--     197.549               -401.873                439.060
 CID2   Fr= 1--       0.837                 -7.771                  4.124
 Raman3 Fr= 1--     471.990                103.435                212.952
 ROA3   Fr= 1--     485.509              -1729.934               4849.779
 CID3   Fr= 1--       1.029                -16.725                 22.774
 RC180  Fr= 1--       0.693                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    105.3887                31.7878               111.2460
  Dep-P Fr= 1--      0.7483                 0.7498                 0.6836
  Dep-U Fr= 1--      0.8560                 0.8570                 0.8121
 Alpha2 Fr= 1--      0.0030                 0.0001                 0.1299
 Beta2  Fr= 1--     15.0361                 4.5404                15.0570
 AlphaG Fr= 1--      0.1055                -0.0003                -0.3935
 Gamma2 Fr= 1--    -23.0574                10.6723               -12.3769
 Delta2 Fr= 1--    -41.6345                 1.5103                -8.5722
 Raman1 Fr= 1--     421.555                127.151                444.984
 ROA1   Fr= 1--   -3545.814               1072.869              -1462.490
 CID1   Fr= 1--      -8.411                  8.438                 -3.287
 Raman2 Fr= 1--     180.434                 54.485                180.684
 ROA2   Fr= 1--    -220.301                244.053               -228.467
 CID2   Fr= 1--      -1.221                  4.479                 -1.264
 Raman3 Fr= 1--     360.867                108.969                361.368
 ROA3   Fr= 1--   -3545.814               1072.869              -1462.490
 CID3   Fr= 1--      -9.826                  9.846                 -4.047
 RC180  Fr= 1--       0.712                  0.714                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119618D+03 -0.224870D-03  0.126949D+01
      2  -0.224870D-03  0.971134D+02  0.183332D-03
      3   0.126949D+01  0.183332D-03  0.921375D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761786D+01 -0.344771D-03  0.150080D+01
      2  -0.181497D-02 -0.276446D+01  0.297874D-02
      3   0.243164D+02 -0.844671D-03 -0.305413D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.166703D-01 -0.237273D+02 -0.361684D-02
      2   0.442188D-02 -0.812818D+01 -0.103801D-01
      3   0.122484D-01  0.318555D+02  0.139969D-01
      4  -0.262089D+02 -0.141566D-02 -0.600715D+00
      5  -0.293096D-02  0.191052D+01  0.118467D-01
      6  -0.129000D+01 -0.124841D-01  0.157423D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339729D+01  0.312391D+01 -0.517641D+01 -0.832210D+00 -0.321672D+01
      2   0.312391D+01 -0.415491D+01  0.903355D+00 -0.321672D+01 -0.239679D+01
      3  -0.517641D+01  0.903355D+00  0.282481D+01  0.184724D+01 -0.136892D+01
                 6             7             8             9            10 
      1   0.184724D+01 -0.211569D+01 -0.112878D+01  0.195309D+01 -0.258415D+00
      2  -0.136892D+01 -0.112878D+01 -0.248073D+01  0.228924D+01  0.773213D+00
      3   0.323145D+01  0.195309D+01  0.228924D+01  0.256136D+01 -0.137531D+01
                11            12            13            14            15 
      1   0.773213D+00 -0.137531D+01  0.236368D+01 -0.112159D+01 -0.276569D+01
      2  -0.769803D-01  0.798920D+00 -0.112159D+01  0.121824D+01  0.119164D+01
      3   0.798920D+00 -0.427914D+00 -0.276569D+01  0.119164D+01 -0.130989D+01
                16            17            18            19            20 
      1  -0.520208D+01 -0.101331D+01  0.106264D+01 -0.119337D-02 -0.570105D+00
      2  -0.101331D+01  0.298154D+01 -0.102556D+01 -0.570105D+00  0.135689D-03
      3   0.106264D+01 -0.102556D+01  0.217352D+00 -0.909777D-04 -0.184933D+00
                21            22            23            24            25 
      1  -0.909777D-04  0.196775D+01 -0.167348D-02  0.335711D+01  0.490025D-03
      2  -0.184933D+00 -0.167348D-02  0.488641D+00  0.132699D-03  0.496433D+01
      3   0.109385D-03  0.335711D+01  0.132699D-03 -0.249187D+01  0.194620D-02
                26            27            28            29            30 
      1   0.496433D+01  0.194620D-02  0.703875D+00 -0.340652D+01  0.311930D+01
      2   0.262803D-03 -0.111178D+01 -0.340652D+01 -0.280029D+00 -0.379917D+00
      3  -0.111178D+01 -0.134103D-02  0.311930D+01 -0.379917D+00  0.207848D+01
                31            32            33            34            35 
      1  -0.603457D+01  0.239656D+01 -0.307434D+00  0.435149D+01  0.136582D+01
      2   0.239656D+01  0.211869D+01  0.315546D+01  0.136582D+01  0.185979D+01
      3  -0.307434D+00  0.315546D+01  0.234142D+01  0.816949D+00  0.159276D+01
                36            37            38            39            40 
      1   0.816949D+00  0.149406D+01 -0.294929D+01  0.668444D+00 -0.198861D+01
      2   0.159276D+01 -0.294929D+01  0.306566D+01 -0.330184D+01  0.270547D+01
      3  -0.334346D+01  0.668444D+00 -0.330184D+01 -0.339592D+01 -0.111923D+01
                41            42            43            44            45 
      1   0.270547D+01 -0.111923D+01  0.251146D+01 -0.424228D+01 -0.275879D+01
      2  -0.184934D+01 -0.226572D+01 -0.424228D+01 -0.218019D+01 -0.531473D-01
      3  -0.226572D+01 -0.256722D+00 -0.275879D+01 -0.531473D-01  0.671488D+00
                46            47            48            49            50 
      1  -0.339657D+01  0.312148D+01  0.517622D+01 -0.832659D+00  0.321730D+01
      2   0.312148D+01  0.415440D+01  0.904663D+00  0.321730D+01 -0.239841D+01
      3   0.517622D+01  0.904663D+00 -0.282687D+01  0.184907D+01  0.136613D+01
                51            52            53            54            55 
      1   0.184907D+01  0.211416D+01 -0.112783D+01 -0.195566D+01  0.263845D+00
      2   0.136613D+01 -0.112783D+01  0.247794D+01  0.229021D+01  0.773296D+00
      3   0.323146D+01 -0.195566D+01  0.229021D+01 -0.255778D+01  0.137578D+01
                56            57            58            59            60 
      1   0.773296D+00  0.137578D+01  0.236189D+01  0.112278D+01 -0.276508D+01
      2   0.759670D-01  0.798450D+00  0.112278D+01  0.122062D+01 -0.119015D+01
      3   0.798450D+00  0.428030D+00 -0.276508D+01 -0.119015D+01 -0.130984D+01
                61            62            63            64            65 
      1   0.520281D+01 -0.101329D+01 -0.106465D+01 -0.149608D+01 -0.295296D+01
      2  -0.101329D+01 -0.298042D+01 -0.102722D+01 -0.295296D+01 -0.306252D+01
      3  -0.106465D+01 -0.102722D+01 -0.218802D+00 -0.667718D+00 -0.330358D+01
                66            67            68            69            70 
      1  -0.667718D+00 -0.198991D+01 -0.270245D+01 -0.112064D+01 -0.251069D+01
      2  -0.330358D+01 -0.270245D+01 -0.185119D+01  0.226663D+01 -0.424298D+01
      3   0.339297D+01 -0.112064D+01  0.226663D+01 -0.253653D+00  0.275678D+01
                71            72            73            74            75 
      1  -0.424298D+01  0.275678D+01 -0.710694D+00 -0.340526D+01 -0.312161D+01
      2   0.218117D+01 -0.489610D-01 -0.340526D+01  0.280794D+00 -0.377436D+00
      3  -0.489610D-01 -0.675140D+00 -0.312161D+01 -0.377436D+00 -0.207533D+01
                76            77            78            79            80 
      1  -0.603280D+01 -0.239745D+01 -0.305574D+00 -0.435392D+01  0.136748D+01
      2  -0.239745D+01  0.212162D+01 -0.315560D+01  0.136748D+01 -0.186012D+01
      3  -0.305574D+00 -0.315560D+01  0.233801D+01 -0.812467D+00  0.159009D+01
                81            82            83            84            85 
      1  -0.812467D+00  0.172502D+01  0.162752D+01 -0.159386D+00  0.286075D+01
      2   0.159009D+01  0.162752D+01  0.316547D+01 -0.777000D+00  0.294150D+01
      3   0.334773D+01 -0.159386D+00 -0.777000D+00  0.368761D+00 -0.928702D+00
                86            87            88            89            90 
      1   0.294150D+01 -0.928702D+00  0.935610D+00 -0.398135D-01  0.290358D+00
      2   0.956888D+01 -0.203196D+01 -0.398135D-01  0.356992D+00  0.126997D+01
      3  -0.203196D+01  0.169437D+01  0.290358D+00  0.126997D+01 -0.124106D+01
                91            92            93            94            95 
      1  -0.979972D+00 -0.968469D-01 -0.460570D+00 -0.937291D+00  0.547435D+00
      2  -0.968469D-01  0.193450D+00 -0.212302D-01  0.547435D+00  0.442384D+00
      3  -0.460570D+00 -0.212302D-01 -0.170223D+01 -0.325759D+00 -0.118080D+01
                96            97            98            99           100 
      1  -0.325759D+00 -0.168591D+01  0.919419D-01 -0.258908D+00  0.875370D+00
      2  -0.118080D+01  0.919419D-01 -0.152331D+01  0.103125D+01  0.607755D+00
      3  -0.170051D+01 -0.258908D+00  0.103125D+01 -0.100883D+02  0.888513D+00
               101           102           103           104           105 
      1   0.607755D+00  0.888513D+00  0.616023D+00  0.319802D+00  0.179390D+00
      2  -0.261040D+00  0.247328D+00  0.319802D+00 -0.594173D+00  0.683037D+00
      3   0.247328D+00 -0.400636D+00  0.179390D+00  0.683037D+00 -0.943966D+00
               106           107           108           109           110 
      1   0.250279D+01 -0.360432D+00  0.267023D+01  0.105516D+02  0.277682D+01
      2  -0.360432D+00  0.119353D+01 -0.700738D+00  0.277682D+01  0.182971D+01
      3   0.267023D+01 -0.700738D+00  0.940186D+01  0.457203D+00  0.158548D+00
               111           112           113           114           115 
      1   0.457203D+00  0.496338D+01  0.196128D+01  0.320213D+00 -0.200105D+01
      2   0.158548D+00  0.196128D+01  0.149129D+01 -0.174571D+00 -0.332700D+00
      3   0.110807D+01  0.320213D+00 -0.174571D+00  0.557459D+00  0.147361D+01
               116           117           118           119           120 
      1  -0.332700D+00  0.147361D+01 -0.561781D+00 -0.644759D+00  0.741511D-01
      2  -0.886820D+00  0.283337D+00 -0.644759D+00 -0.276728D+01  0.901931D+00
      3   0.283337D+00  0.469183D+00  0.741511D-01  0.901931D+00 -0.285366D+00
               121           122           123           124           125 
      1  -0.136098D+01 -0.423729D+00  0.391582D+00  0.837117D+00  0.721610D+00
      2  -0.423729D+00 -0.773363D+01  0.109298D+01  0.721610D+00  0.232908D+01
      3   0.391582D+00  0.109298D+01 -0.127937D+01  0.335241D+00 -0.156541D+01
               126           127           128           129           130 
      1   0.335241D+00  0.350542D+01 -0.152588D+01 -0.224372D+01 -0.633628D+00
      2  -0.156541D+01 -0.152588D+01  0.130155D+01  0.156226D+01  0.119828D+01
      3   0.929842D+00 -0.224372D+01  0.156226D+01  0.274856D+01  0.102935D+01
               131           132           133           134           135 
      1   0.119828D+01  0.102935D+01 -0.399552D+01  0.245551D+01  0.336634D+01
      2  -0.250938D+01 -0.144440D+01  0.245551D+01 -0.264513D+01 -0.256543D+01
      3  -0.144440D+01 -0.108837D+01  0.336634D+01 -0.256543D+01 -0.529051D+01
               136           137           138           139           140 
      1   0.981280D+00 -0.968305D-01  0.460528D+00 -0.937743D+00 -0.547130D+00
      2  -0.968305D-01 -0.192960D+00 -0.212464D-01 -0.547130D+00  0.441621D+00
      3   0.460528D+00 -0.212464D-01  0.170436D+01 -0.326214D+00  0.118111D+01
               141           142           143           144           145 
      1  -0.326214D+00  0.168599D+01  0.919424D-01  0.261108D+00 -0.172550D+01
      2   0.118111D+01  0.919424D-01  0.152294D+01  0.102953D+01  0.162741D+01
      3  -0.170153D+01  0.261108D+00  0.102953D+01  0.100871D+02  0.159970D+00
               146           147           148           149           150 
      1   0.162741D+01  0.159970D+00  0.286099D+01 -0.294112D+01 -0.929348D+00
      2  -0.316532D+01 -0.777696D+00 -0.294112D+01  0.956702D+01  0.203359D+01
      3  -0.777696D+00 -0.369112D+00 -0.929348D+00  0.203359D+01  0.169504D+01
               151           152           153           154           155 
      1  -0.934522D+00 -0.403947D-01 -0.290246D+00  0.561329D+00 -0.643256D+00
      2  -0.403947D-01 -0.354696D+00  0.127006D+01 -0.643256D+00  0.276498D+01
      3  -0.290246D+00  0.127006D+01  0.124187D+01 -0.746648D-01  0.902827D+00
               156           157           158           159           160 
      1  -0.746648D-01 -0.135988D+01  0.422037D+00  0.391670D+00 -0.838234D+00
      2   0.902827D+00  0.422037D+00 -0.773305D+01 -0.109602D+01  0.721155D+00
      3   0.285728D+00  0.391670D+00 -0.109602D+01 -0.128045D+01 -0.335144D+00
               161           162           163           164           165 
      1   0.721155D+00 -0.335144D+00 -0.350216D+01 -0.152500D+01  0.224216D+01
      2  -0.233258D+01 -0.156720D+01 -0.152500D+01 -0.130165D+01  0.156230D+01
      3  -0.156720D+01 -0.932085D+00  0.224216D+01  0.156230D+01 -0.274669D+01
               166           167           168           169           170 
      1  -0.633893D+00 -0.119900D+01  0.102975D+01  0.399447D+01  0.245591D+01
      2  -0.119900D+01 -0.251106D+01  0.144476D+01  0.245591D+01  0.264624D+01
      3   0.102975D+01  0.144476D+01 -0.108945D+01 -0.336503D+01 -0.256678D+01
               171           172           173           174           175 
      1  -0.336503D+01 -0.877056D+00  0.608026D+00 -0.888982D+00  0.616880D+00
      2  -0.256678D+01  0.608026D+00  0.260295D+00  0.246811D+00 -0.320198D+00
      3   0.529106D+01 -0.888982D+00  0.246811D+00  0.397947D+00  0.179481D+00
               176           177           178           179           180 
      1  -0.320198D+00  0.179481D+00 -0.250406D+01 -0.360001D+00 -0.267322D+01
      2  -0.593258D+00 -0.682776D+00 -0.360001D+00 -0.119329D+01 -0.698233D+00
      3  -0.682776D+00 -0.941219D+00 -0.267322D+01 -0.698233D+00 -0.940282D+01
               181           182           183           184           185 
      1  -0.105496D+02  0.277729D+01 -0.453808D+00  0.496284D+01 -0.196139D+01
      2   0.277729D+01 -0.182972D+01  0.157491D+00 -0.196139D+01  0.149127D+01
      3  -0.453808D+00  0.157491D+00 -0.110777D+01  0.318824D+00  0.175441D+00
               186           187           188           189 
      1   0.318824D+00  0.200530D+01 -0.333877D+00 -0.147418D+01
      2   0.175441D+00 -0.333877D+00  0.887802D+00  0.284010D+00
      3   0.557629D+00 -0.147418D+01  0.284010D+00 -0.467466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.386086D+01  0.463318D+01 -0.619025D+01  0.482440D+01  0.821883D+01
      2  -0.210390D+01  0.188222D+01  0.243520D+01  0.411222D+01 -0.710911D+01
      3   0.179302D+00  0.341464D+01 -0.599490D+01  0.608727D+01 -0.232495D+01
                 6             7             8             9            10 
      1  -0.775197D+01 -0.318805D+01  0.406768D+01 -0.943284D+01 -0.115762D+00
      2   0.555547D+01 -0.503357D+01  0.194984D+01  0.606718D+01 -0.507723D+00
      3   0.316191D+01 -0.568735D+01  0.215974D+01  0.951805D+00  0.464415D+01
                11            12            13            14            15 
      1   0.916387D+00  0.217862D+01 -0.230833D+01  0.783269D+00 -0.398272D+01
      2  -0.304972D+00  0.348407D+01 -0.218732D+01  0.208942D+01 -0.478690D+01
      3  -0.772298D+01 -0.184730D-01  0.131919D+02 -0.400853D+01 -0.156164D+01
                16            17            18            19            20 
      1  -0.725364D+01  0.450906D+01 -0.276622D+00  0.147817D-02 -0.192159D+01
      2  -0.966844D+01  0.242520D+01 -0.181208D+00 -0.442409D+01 -0.866977D-03
      3  -0.619855D+00 -0.588883D+01  0.254275D+01 -0.567624D-03 -0.534523D+01
                21            22            23            24            25 
      1  -0.188557D-03  0.395782D+01 -0.376895D-03 -0.119646D+01 -0.924956D-03
      2   0.661348D+01 -0.106602D-03 -0.441706D+00  0.243286D-03 -0.139347D+02
      3   0.126563D-03  0.144145D+02 -0.222004D-02 -0.775290D+00  0.698212D-04
                26            27            28            29            30 
      1   0.359501D+01  0.182173D-02 -0.334780D+01  0.119794D+01  0.274418D+00
      2  -0.655278D-03  0.165669D+01  0.129893D+02  0.237599D+01  0.859179D+01
      3   0.529661D+01  0.208860D-02  0.904808D+01 -0.250128D+01  0.292926D+00
                31            32            33            34            35 
      1  -0.174245D+01  0.378781D+01 -0.171087D-01  0.265613D+01  0.503720D+01
      2   0.388761D+01  0.931005D+01  0.740261D+01 -0.552258D+01  0.386359D+01
      3  -0.200477D+01 -0.781334D+01 -0.897823D+01 -0.294410D+01 -0.823187D+01
                36            37            38            39            40 
      1   0.260953D+01  0.176332D+01 -0.781819D+01 -0.400281D+01 -0.476611D+01
      2  -0.129263D+02 -0.663552D+00 -0.704216D+01 -0.522949D+01 -0.467024D+01
      3  -0.624464D+01  0.796221D+01 -0.932066D+01  0.700508D+01  0.213362D+00
                41            42            43            44            45 
      1  -0.479164D+01 -0.299370D+01 -0.590404D+01  0.634624D+01  0.160182D+01
      2  -0.384106D+01 -0.208500D+01 -0.745055D+01 -0.193008D+01 -0.565038D-03
      3  -0.348702D+00  0.973893D+01  0.871607D+01  0.126705D+02  0.650622D+01
                46            47            48            49            50 
      1  -0.386248D+01  0.463208D+01  0.619514D+01  0.482348D+01 -0.821717D+01
      2  -0.210419D+01 -0.188135D+01  0.243664D+01 -0.411180D+01 -0.710696D+01
      3  -0.179842D+00  0.341060D+01  0.599518D+01  0.608357D+01  0.232294D+01
                51            52            53            54            55 
      1  -0.775529D+01  0.319565D+01  0.406240D+01  0.942765D+01  0.115655D+00
      2  -0.555751D+01 -0.503043D+01 -0.195322D+01  0.606648D+01 -0.508116D+00
      3   0.316110D+01  0.568633D+01  0.215896D+01 -0.954150D+00 -0.464207D+01
                56            57            58            59            60 
      1   0.915877D+00 -0.217871D+01 -0.231009D+01 -0.783713D+00 -0.398220D+01
      2   0.305629D+00  0.348458D+01  0.218705D+01  0.208739D+01  0.478648D+01
      3  -0.772392D+01  0.182390D-01  0.131936D+02  0.401257D+01 -0.155822D+01
                61            62            63            64            65 
      1   0.725349D+01  0.450807D+01  0.277539D+00 -0.176084D+01 -0.781733D+01
      2  -0.966704D+01 -0.242215D+01 -0.179294D+00 -0.664089D+00  0.704762D+01
      3   0.620509D+00 -0.588735D+01 -0.254621D+01 -0.796882D+01 -0.930609D+01
                66            67            68            69            70 
      1   0.399928D+01 -0.476516D+01  0.479310D+01 -0.298730D+01  0.590240D+01
      2  -0.522356D+01  0.467318D+01 -0.384643D+01  0.207745D+01 -0.744616D+01
      3  -0.701255D+01  0.227022D+00  0.337728D+00  0.974549D+01 -0.871872D+01
                71            72            73            74            75 
      1   0.635422D+01 -0.160578D+01  0.334597D+01  0.119762D+01 -0.275569D+00
      2   0.191844D+01  0.103668D-01  0.129915D+02 -0.238248D+01  0.857973D+01
      3   0.126764D+02 -0.649223D+01 -0.904427D+01 -0.250244D+01 -0.285606D+00
                76            77            78            79            80 
      1  -0.174134D+01 -0.378807D+01 -0.194884D-01 -0.265835D+01  0.503450D+01
      2  -0.389149D+01  0.931066D+01 -0.739061D+01 -0.553917D+01 -0.385240D+01
      3  -0.200932D+01  0.782467D+01 -0.898064D+01  0.294718D+01 -0.823347D+01
                81            82            83            84            85 
      1  -0.260705D+01 -0.262273D+01 -0.350354D+01 -0.310987D+00 -0.246560D+01
      2  -0.129361D+02  0.198297D+01  0.115280D+01  0.105422D+01  0.253567D+01
      3   0.623520D+01  0.138836D+01 -0.256628D+01  0.771893D+00  0.412425D+01
                86            87            88            89            90 
      1  -0.107305D+02 -0.209001D+01 -0.432359D+00 -0.152152D+01  0.274643D+00
      2   0.169925D+01  0.136730D+01  0.477533D-01  0.138962D+01 -0.941173D+00
      3  -0.488002D+01  0.506678D+00  0.129469D+01 -0.114404D+00 -0.733428D+00
                91            92            93            94            95 
      1   0.176055D+01  0.824555D-01  0.311485D+01 -0.262673D+00  0.158693D+01
      2  -0.312265D+01 -0.450736D+00 -0.133001D+01 -0.202928D+01 -0.753655D+00
      3  -0.870490D+00 -0.580631D+00 -0.559697D+00 -0.438275D+00  0.978512D-01
                96            97            98            99           100 
      1   0.317534D+01  0.385549D+00  0.340173D+01  0.134783D+02  0.106341D+01
      2  -0.271881D+01 -0.574614D+01  0.108541D+01 -0.109066D+02  0.286535D+01
      3   0.519947D+00 -0.225263D+01  0.113786D+01 -0.139414D+01 -0.145266D+01
               101           102           103           104           105 
      1  -0.129647D+00  0.311303D+00  0.246716D+00 -0.690809D+00 -0.537406D+00
      2   0.188229D+00 -0.149536D+01 -0.365583D+00  0.198132D+01 -0.309126D+01
      3  -0.978447D-01 -0.100533D+01 -0.271332D+00  0.155129D+01 -0.177453D+01
               106           107           108           109           110 
      1   0.281995D-01  0.383195D+01  0.149187D+01  0.332840D+01  0.169201D+01
      2   0.257488D+01 -0.171576D+01  0.265489D+02 -0.668524D+01 -0.151772D+01
      3   0.737817D+00 -0.366336D+01  0.181270D+01 -0.820577D+01 -0.830854D+01
               111           112           113           114           115 
      1  -0.547657D+00  0.218440D+01  0.136003D+01 -0.104784D+01 -0.401836D+00
      2   0.542897D+01 -0.243771D+01 -0.213678D+01  0.231738D+01  0.484402D+01
      3  -0.606237D+00 -0.398775D+01 -0.485987D+01  0.561285D+00  0.783461D+00
               116           117           118           119           120 
      1   0.321259D+00  0.723273D+00  0.794027D+00  0.251646D+01 -0.156959D+01
      2   0.128924D+01  0.356273D+00  0.543287D+00  0.132053D+01 -0.763698D-02
      3   0.265079D+01 -0.901988D+00  0.285432D+01  0.804634D+01 -0.287879D+01
               121           122           123           124           125 
      1   0.698154D+00  0.439182D+01 -0.480312D+01  0.388152D+00 -0.251892D+01
      2   0.663380D+00  0.182808D+01 -0.207071D+01 -0.313828D+00 -0.303670D+01
      3   0.621479D+01  0.206296D+02 -0.352736D+01 -0.395767D+01 -0.732164D+01
               126           127           128           129           130 
      1   0.259253D+01 -0.345909D+01  0.137366D+01  0.435756D+01  0.129700D+01
      2   0.149112D+01 -0.276766D+01  0.313739D+01  0.680166D+01  0.174142D+01
      3   0.378445D+01 -0.165022D+01 -0.196862D+01 -0.774934D+00 -0.428726D+00
               131           132           133           134           135 
      1  -0.974698D+00 -0.239343D+01  0.426456D+01 -0.991365D+00 -0.799839D+01
      2  -0.284614D+01 -0.253703D+01  0.332910D+01 -0.443719D+01 -0.106533D+02
      3   0.502140D+01  0.205731D+01  0.238253D-01  0.395239D+01  0.151981D+01
               136           137           138           139           140 
      1  -0.176125D+01  0.841805D-01 -0.311737D+01 -0.261684D+00 -0.158816D+01
      2  -0.312636D+01  0.450974D+00 -0.133164D+01  0.203138D+01 -0.754321D+00
      3   0.871403D+00 -0.580080D+00  0.559668D+00 -0.437863D+00 -0.983101D-01
               141           142           143           144           145 
      1   0.317679D+01 -0.388876D+00  0.340440D+01 -0.134744D+02  0.262256D+01
      2   0.272036D+01 -0.574978D+01 -0.108319D+01 -0.109068D+02  0.198371D+01
      3   0.519484D+00  0.225142D+01  0.113643D+01  0.139439D+01 -0.138882D+01
               146           147           148           149           150 
      1  -0.350399D+01  0.310137D+00 -0.246508D+01  0.107293D+02 -0.208729D+01
      2  -0.115262D+01  0.105385D+01 -0.253662D+01  0.169908D+01 -0.136672D+01
      3  -0.256618D+01 -0.772058D+00  0.412389D+01  0.487751D+01  0.506841D+00
               151           152           153           154           155 
      1   0.430945D+00 -0.151798D+01 -0.275429D+00 -0.793985D+00  0.251521D+01
      2   0.464321D-01 -0.138883D+01 -0.942135D+00  0.545005D+00 -0.132338D+01
      3  -0.129347D+01 -0.112958D+00  0.733670D+00 -0.285064D+01  0.803656D+01
               156           157           158           159           160 
      1   0.156953D+01  0.697401D+00 -0.439180D+01 -0.480529D+01 -0.388330D+00
      2  -0.891743D-02 -0.665588D+00  0.183607D+01  0.207393D+01 -0.314932D+00
      3   0.288207D+01  0.620687D+01 -0.206257D+02 -0.353558D+01  0.395857D+01
               161           162           163           164           165 
      1  -0.252165D+01 -0.259678D+01  0.345778D+01  0.137483D+01 -0.435573D+01
      2   0.304139D+01  0.149576D+01 -0.276702D+01 -0.313852D+01  0.679819D+01
      3  -0.733017D+01 -0.378971D+01  0.164872D+01 -0.196958D+01  0.777240D+00
               166           167           168           169           170 
      1   0.129778D+01  0.975541D+00 -0.239601D+01 -0.426411D+01 -0.994458D+00
      2  -0.174186D+01 -0.284668D+01  0.253943D+01  0.332768D+01  0.444046D+01
      3  -0.429888D+00 -0.502423D+01  0.205729D+01 -0.222642D-01  0.395338D+01
               171           172           173           174           175 
      1   0.800113D+01 -0.106282D+01 -0.128109D+00 -0.311430D+00  0.246911D+00
      2  -0.106560D+02  0.286384D+01 -0.186707D+00 -0.148677D+01  0.366174D+00
      3  -0.152416D+01  0.145399D+01 -0.100189D+00  0.100357D+01 -0.272400D+00
               176           177           178           179           180 
      1   0.689541D+00 -0.536556D+00 -0.283959D-01  0.383209D+01 -0.148889D+01
      2   0.198009D+01  0.308293D+01  0.258483D+01  0.170911D+01  0.265518D+02
      3  -0.154900D+01 -0.177360D+01 -0.738178D+00 -0.366382D+01 -0.180588D+01
               181           182           183           184           185 
      1  -0.332724D+01  0.169052D+01  0.549455D+00  0.218372D+01 -0.135937D+01
      2  -0.668965D+01  0.152021D+01  0.543097D+01  0.243952D+01 -0.213858D+01
      3   0.820375D+01 -0.830820D+01  0.602492D+00 -0.398669D+01  0.485918D+01
               186           187           188           189 
      1  -0.104889D+01  0.403726D+00  0.320681D+00 -0.723802D+00
      2  -0.231904D+01  0.484863D+01 -0.129200D+01  0.349764D+00
      3   0.563932D+00 -0.785720D+00  0.265484D+01  0.903447D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.905090D+01  0.147702D+02 -0.405342D+01  0.752571D+01 -0.299424D+01
      2  -0.102367D+01 -0.172351D+02  0.116488D+02 -0.107107D+02 -0.145989D+02
      3   0.100746D+02  0.246486D+01 -0.759533D+01  0.318499D+01  0.175932D+02
      4   0.731751D+01 -0.537306D+01 -0.331020D+01 -0.781946D+01 -0.159761D+02
      5  -0.133286D+02 -0.176360D+01  0.118566D+02  0.858600D+00  0.259437D+01
      6  -0.151428D+02  0.756494D+01  0.242722D+01  0.912821D+01  0.581547D-01
                 6             7             8             9            10 
      1   0.955403D+01  0.118952D+01  0.623118D+01  0.941256D+01 -0.894579D+00
      2   0.116775D+01  0.410603D+01 -0.317885D+01  0.125964D+02 -0.992829D+00
      3  -0.107218D+02 -0.529555D+01 -0.305233D+01 -0.220090D+02  0.188741D+01
      4   0.628367D+00 -0.653707D+01 -0.352293D+01  0.744306D+01  0.376137D+01
      5   0.337289D+01  0.994975D+01  0.496758D+01 -0.315404D+01 -0.108669D+02
      6   0.767284D+01  0.474143D+01  0.808655D+01 -0.420887D+01  0.178179D+01
                11            12            13            14            15 
      1   0.184083D+01 -0.512625D+01 -0.146270D+01 -0.150372D+01 -0.546786D+01
      2   0.119543D+01  0.175794D+01  0.483635D+01  0.219574D+00  0.229472D+01
      3  -0.303625D+01  0.336831D+01 -0.337365D+01  0.128415D+01  0.317314D+01
      4  -0.128551D+01  0.446903D+01 -0.685725D+01  0.795324D+01  0.238188D+01
      5   0.594315D+01 -0.147907D+01 -0.261267D+01  0.108745D+01 -0.336715D+01
      6  -0.174498D+01  0.335288D+00 -0.393591D+01  0.144091D+01 -0.763563D+00
                16            17            18            19            20 
      1  -0.965192D+01 -0.381839D+01 -0.839932D+00 -0.111417D+01 -0.180819D-02
      2   0.516203D+01  0.167987D+01 -0.230997D+01  0.460641D+01  0.113959D-03
      3   0.448989D+01  0.213852D+01  0.314991D+01 -0.349224D+01  0.169423D-02
      4   0.506907D+00  0.632672D+01 -0.263399D+01 -0.331878D-02  0.111131D+01
      5  -0.230716D+01 -0.145921D+01  0.596982D+00  0.112543D+02  0.570653D-03
      6   0.465566D+01 -0.174499D+01  0.187402D+01  0.222362D-02  0.138217D+01
                21            22            23            24            25 
      1   0.183894D+01 -0.505854D-03 -0.540388D+00  0.142014D-02 -0.737221D+01
      2  -0.316757D+01 -0.184418D-02  0.326095D+01 -0.436889D-03  0.156012D+01
      3   0.132863D+01  0.235003D-02 -0.272056D+01 -0.983254D-03  0.581209D+01
      4   0.151261D-02 -0.404192D+01  0.162787D-02  0.386645D+00  0.418648D-02
      5  -0.634820D+01  0.441760D-02  0.460605D-02  0.299235D-04 -0.133910D+02
      6  -0.229677D-03  0.700852D+01  0.702070D-03 -0.356191D+01  0.882426D-03
                26            27            28            29            30 
      1  -0.524166D-03 -0.193051D+01 -0.948091D+01 -0.192959D+02  0.151731D+02
      2   0.129904D-02 -0.402319D-01  0.190655D+00  0.937158D+01 -0.919566D+01
      3  -0.774878D-03  0.197074D+01  0.929026D+01  0.992433D+01 -0.597748D+01
      4  -0.138799D+00 -0.505160D-03 -0.239212D+02 -0.170286D+01 -0.338114D+01
      5  -0.842437D-03  0.408908D+01  0.213029D+02 -0.431014D+01  0.133890D+02
      6  -0.247744D+01 -0.203991D-02 -0.514089D+01  0.117859D+01 -0.253428D+01
                31            32            33            34            35 
      1  -0.302313D+02  0.616262D+01 -0.417009D+00  0.268614D+02  0.354837D+01
      2   0.139542D+02 -0.664754D+01 -0.356081D+01 -0.120133D+02 -0.528836D+01
      3   0.162771D+02  0.484920D+00  0.397782D+01 -0.148481D+02  0.173998D+01
      4   0.743510D+01  0.113711D+02  0.147430D+02  0.383076D+01  0.104267D+02
      5  -0.524759D+01  0.170247D+02  0.969894D+01  0.919767D+01  0.711939D+01
      6  -0.529317D+00  0.167173D+01  0.173852D+01 -0.199649D+01  0.180774D+01
                36            37            38            39            40 
      1   0.177852D+02  0.841917D+00 -0.512568D+01 -0.617712D+01 -0.261275D+01
      2   0.225260D+01  0.712843D+01 -0.819208D+01  0.491807D+01 -0.804925D+01
      3  -0.200378D+02 -0.797035D+01  0.133178D+02  0.125904D+01  0.106620D+02
      4   0.603354D+01 -0.110650D+02  0.127097D+02 -0.129564D+02  0.155871D+02
      5  -0.141952D+02  0.567844D+01 -0.147396D+02 -0.164353D+02 -0.646373D+01
      6   0.387593D+01 -0.145192D+00  0.801383D+01  0.850234D+01  0.538082D+01
                41            42            43            44            45 
      1   0.113234D+02 -0.108538D+02  0.795118D+00 -0.203936D+02 -0.125763D+02
      2  -0.460503D+01  0.121503D+02  0.175314D+01  0.176011D+02  0.895363D+01
      3  -0.671832D+01 -0.129648D+01 -0.254826D+01  0.279248D+01  0.362270D+01
      4  -0.185797D+02 -0.333458D+01 -0.181209D+02 -0.128529D+01  0.526520D+01
      5  -0.729245D+01  0.970620D+00 -0.149498D+02  0.231749D+01  0.775390D+01
      6   0.666324D+01 -0.130034D+01  0.112748D+02 -0.405511D+01 -0.373383D+01
                46            47            48            49            50 
      1  -0.905164D+01 -0.147660D+02 -0.404795D+01 -0.752782D+01 -0.298828D+01
      2  -0.103083D+01  0.172286D+02  0.116562D+02  0.107055D+02 -0.145981D+02
      3   0.100825D+02 -0.246267D+01 -0.760825D+01 -0.317765D+01  0.175864D+02
      4  -0.730609D+01 -0.537505D+01  0.330476D+01 -0.782173D+01  0.159762D+02
      5  -0.133262D+02  0.175758D+01  0.118573D+02 -0.867080D+00  0.260259D+01
      6   0.151361D+02  0.756825D+01 -0.242510D+01  0.913382D+01 -0.728921D-01
                51            52            53            54            55 
      1  -0.955360D+01  0.119747D+01 -0.623045D+01  0.940953D+01 -0.909984D+00
      2  -0.117632D+01  0.411418D+01  0.316611D+01  0.125884D+02 -0.985188D+00
      3   0.107299D+02 -0.531165D+01  0.306434D+01 -0.219979D+02  0.189517D+01
      4   0.637288D+00  0.653111D+01 -0.351379D+01 -0.744433D+01 -0.376415D+01
      5  -0.336754D+01  0.995277D+01 -0.496618D+01 -0.316780D+01 -0.108694D+02
      6   0.766560D+01 -0.474160D+01  0.808154D+01  0.422174D+01 -0.178107D+01
                56            57            58            59            60 
      1  -0.184219D+01 -0.512664D+01  0.146518D+01 -0.150837D+01  0.546663D+01
      2  -0.119363D+01  0.175897D+01 -0.483593D+01  0.221689D+00 -0.229361D+01
      3   0.303582D+01  0.336767D+01  0.337076D+01  0.128668D+01 -0.317302D+01
      4  -0.128222D+01 -0.446808D+01 -0.686043D+01 -0.795827D+01  0.237767D+01
      5  -0.594066D+01 -0.148039D+01  0.261518D+01  0.108491D+01  0.336701D+01
      6  -0.174529D+01 -0.335587D+00 -0.393446D+01 -0.143767D+01 -0.761949D+00
                61            62            63            64            65 
      1  -0.965605D+01  0.382012D+01 -0.833177D+00  0.845862D+00  0.514803D+01
      2   0.516372D+01 -0.168076D+01 -0.231210D+01  0.713199D+01  0.817053D+01
      3   0.449233D+01 -0.213936D+01  0.314527D+01 -0.797785D+01 -0.133186D+02
      4  -0.506781D+00  0.632309D+01  0.263962D+01  0.110801D+02  0.127059D+02
      5  -0.229971D+01  0.146484D+01  0.602785D+00  0.566970D+01  0.147458D+02
      6  -0.465461D+01 -0.174245D+01 -0.187630D+01  0.143718D+00  0.802186D+01
                66            67            68            69            70 
      1  -0.618434D+01  0.262595D+01  0.113124D+02  0.108628D+02  0.787027D+00
      2   0.493022D+01  0.803343D+01 -0.459284D+01 -0.121594D+02  0.176356D+01
      3   0.125412D+01 -0.106594D+02 -0.671956D+01  0.129668D+01 -0.255059D+01
      4   0.129619D+02  0.155807D+02  0.185766D+02 -0.333312D+01  0.181229D+02
      5  -0.164214D+02  0.646861D+01 -0.729237D+01 -0.981813D+00 -0.149388D+02
      6  -0.849685D+01  0.538732D+01 -0.666930D+01 -0.131349D+01 -0.112710D+02
                71            72            73            74            75 
      1   0.203994D+02 -0.125537D+02 -0.944507D+01  0.192938D+02  0.151977D+02
      2  -0.176080D+02  0.893562D+01  0.171234D+00 -0.936877D+01 -0.920213D+01
      3  -0.279137D+01  0.361811D+01  0.927383D+01 -0.992508D+01 -0.599552D+01
      4  -0.128554D+01 -0.527768D+01  0.239162D+02 -0.170777D+01  0.336652D+01
      5  -0.233266D+01  0.776636D+01  0.213288D+02  0.429418D+01  0.133750D+02
      6  -0.407065D+01  0.374182D+01  0.513361D+01  0.117721D+01  0.252860D+01
                76            77            78            79            80 
      1   0.302246D+02  0.616633D+01  0.400626D+00  0.268878D+02 -0.356391D+01
      2  -0.139475D+02 -0.664877D+01  0.356313D+01 -0.120187D+02  0.528926D+01
      3  -0.162770D+02  0.482440D+00 -0.396375D+01 -0.148691D+02 -0.172535D+01
      4   0.743631D+01 -0.113871D+02  0.147441D+02 -0.384406D+01  0.104282D+02
      5   0.522862D+01  0.170258D+02 -0.968716D+01  0.917126D+01 -0.710918D+01
      6  -0.529378D+00 -0.167590D+01  0.174174D+01  0.199271D+01  0.180978D+01
                81            82            83            84            85 
      1   0.177610D+02  0.320952D+01 -0.309391D+01  0.150611D+01 -0.241137D+01
      2   0.227176D+01  0.489775D+01  0.103271D+02 -0.249906D+01  0.102645D+02
      3  -0.200327D+02 -0.810727D+01 -0.723320D+01  0.992952D+00 -0.785312D+01
      4  -0.602335D+01  0.105293D+02  0.172974D+02 -0.322422D+01  0.158803D+02
      5  -0.142269D+02 -0.268818D+01 -0.482798D+01  0.339152D+01 -0.524272D+01
      6  -0.386828D+01 -0.259125D+01 -0.688443D+01  0.338177D+01 -0.768137D+01
                86            87            88            89            90 
      1  -0.231061D+02  0.638978D+01  0.245585D+01  0.122869D+01 -0.586508D+01
      2   0.446426D+02 -0.668678D+01 -0.591841D+00  0.349746D+01  0.246113D+01
      3  -0.215365D+02  0.296993D+00 -0.186401D+01 -0.472615D+01  0.340395D+01
      4   0.307411D+02 -0.708720D+01  0.154924D+01  0.817478D+00  0.395151D+01
      5  -0.808226D+01  0.491546D+01  0.155061D+01  0.344635D+01 -0.232272D+01
      6  -0.208285D+02  0.110408D+02  0.203127D+01  0.722506D+01 -0.420668D+01
                91            92            93            94            95 
      1  -0.776778D+00 -0.412106D+00 -0.532544D+01 -0.281725D+01 -0.407828D+01
      2  -0.278186D+01  0.103946D+01 -0.335848D+01  0.202351D+01  0.139779D+01
      3   0.355864D+01 -0.627354D+00  0.868392D+01  0.793740D+00  0.268050D+01
      4  -0.119250D+01  0.200333D+01 -0.167362D+01  0.234943D+01  0.190522D+01
      5   0.184808D+01 -0.400883D+00  0.509878D+01  0.154271D+01 -0.190858D+01
      6   0.305354D+00  0.209059D+00 -0.299593D+01 -0.145562D+01 -0.106843D+01
                96            97            98            99           100 
      1  -0.374464D+01 -0.273014D+01  0.534443D+01 -0.315169D+02  0.597312D+01
      2  -0.645303D+01  0.570184D-01 -0.209544D+01 -0.213226D+02 -0.571292D+01
      3   0.101977D+02  0.267312D+01 -0.324900D+01  0.528394D+02 -0.260204D+00
      4  -0.204358D+01 -0.152933D+01 -0.274573D+01  0.654840D+00  0.288786D+01
      5  -0.189883D+01  0.549962D+01  0.125593D+01 -0.103729D+02  0.479302D+01
      6   0.544664D+01 -0.461956D+00  0.838727D+01 -0.161124D+02 -0.273218D+00
               101           102           103           104           105 
      1   0.217146D+01  0.713757D+01  0.405001D+01 -0.269557D+01  0.273409D+01
      2  -0.112381D+01 -0.251467D+01 -0.204893D+01  0.160049D+00  0.415038D+00
      3  -0.104765D+01 -0.462290D+01 -0.200108D+01  0.253552D+01 -0.314913D+01
      4   0.391610D+00  0.340143D+00  0.333696D+01 -0.286114D+01  0.338344D+01
      5   0.105901D+01  0.388824D+01  0.659873D+00  0.314444D+01 -0.420304D+01
      6  -0.805366D+00  0.456613D+00  0.160183D+01 -0.203068D+01  0.689529D+01
               106           107           108           109           110 
      1   0.646883D+01  0.111894D+01 -0.122936D+02  0.776440D+02  0.190709D+02
      2  -0.106112D+02  0.600343D+00 -0.219808D+02 -0.379820D+02 -0.894752D+01
      3   0.414235D+01 -0.171928D+01  0.342744D+02 -0.396620D+02 -0.101234D+02
      4  -0.164680D+01  0.613742D+01 -0.276737D+01  0.226580D+02  0.150384D+02
      5   0.190233D+02 -0.334101D+01  0.470431D+02  0.638281D+01  0.221173D+01
      6  -0.191968D+01  0.579631D+01 -0.699529D+01  0.256459D+01  0.146440D+01
               111           112           113           114           115 
      1   0.181903D+01  0.306294D+02  0.123446D+02  0.146420D+01 -0.142218D+02
      2  -0.215414D+01 -0.135676D+02 -0.299160D+01 -0.148147D+01  0.545881D+01
      3   0.335108D+00 -0.170619D+02 -0.935305D+01  0.172673D-01  0.876301D+01
      4   0.132227D+01  0.180018D+02  0.121834D+02 -0.710587D+00 -0.294554D+01
      5   0.966616D+01  0.421442D+01 -0.706381D+00  0.414986D+01  0.116885D+02
      6   0.798359D+00  0.188005D+01  0.121963D+01  0.165956D+01  0.550430D+00
               116           117           118           119           120 
      1  -0.251435D+01  0.688982D+01 -0.443482D+01 -0.970049D+01  0.228298D+01
      2   0.109198D+01 -0.579521D+01  0.475821D+01  0.137331D+02 -0.252938D+01
      3   0.142237D+01 -0.109461D+01 -0.323396D+00 -0.403262D+01  0.246399D+00
      4  -0.500580D+01  0.261257D+01  0.177262D+01 -0.232006D+01  0.175552D+01
      5   0.262505D+01  0.188597D+01 -0.288592D+00  0.298072D+01  0.510276D+00
      6   0.158567D+01 -0.700301D+00 -0.148022D+01 -0.283402D+01  0.176023D+01
               121           122           123           124           125 
      1  -0.621109D+01 -0.255529D+02  0.493944D+01  0.378612D+01  0.104462D+02
      2   0.525445D+01  0.400122D+02 -0.660574D+01 -0.280290D+01 -0.125373D+02
      3   0.956642D+00 -0.144594D+02  0.166630D+01 -0.983217D+00  0.209120D+01
      4   0.440734D+01 -0.199808D+02  0.179605D+01  0.814187D+00  0.491185D+01
      5   0.175949D+01  0.312712D+01 -0.506875D+01  0.369941D+01 -0.515588D+01
      6  -0.147338D+01 -0.647496D+01  0.717786D+01 -0.710893D+00  0.949620D+01
               126           127           128           129           130 
      1  -0.424571D+01  0.172668D+02 -0.497435D+01 -0.731162D+01 -0.194210D+00
      2   0.455385D+01 -0.106524D+02  0.197008D+01  0.508622D+01 -0.159679D+01
      3  -0.308136D+00 -0.661441D+01  0.300427D+01  0.222540D+01  0.179100D+01
      4  -0.422459D+01 -0.145260D+02  0.112438D+02  0.117243D+02  0.951026D+01
      5   0.214688D+01 -0.178282D+02  0.104980D+02  0.193579D+02  0.621934D+01
      6  -0.470166D+01  0.840005D+01 -0.685385D+01 -0.864812D+01 -0.578737D+01
               131           132           133           134           135 
      1  -0.200353D+01  0.586131D+00 -0.116906D+02  0.278227D+01  0.349998D+01
      2   0.552758D+01  0.154592D+01  0.827799D+01 -0.462641D+00 -0.100983D+02
      3  -0.352405D+01 -0.213205D+01  0.341264D+01 -0.231963D+01  0.659834D+01
      4  -0.131227D+02 -0.931681D+01  0.175728D+02 -0.159915D+02 -0.164624D+02
      5  -0.899204D+01 -0.660182D+01  0.231497D+02 -0.152362D+02 -0.307924D+02
      6   0.719011D+01  0.828314D+01 -0.123830D+02  0.132129D+02  0.183263D+02
               136           137           138           139           140 
      1  -0.777620D+00  0.411329D+00 -0.533070D+01  0.281838D+01 -0.407854D+01
      2  -0.278112D+01 -0.103815D+01 -0.336345D+01 -0.202178D+01  0.139602D+01
      3   0.355874D+01  0.626824D+00  0.869415D+01 -0.796593D+00  0.268252D+01
      4   0.119257D+01  0.200213D+01  0.167263D+01  0.234950D+01 -0.190346D+01
      5   0.185172D+01  0.400341D+00  0.509771D+01 -0.154255D+01 -0.190797D+01
      6  -0.306037D+00  0.210252D+00  0.299712D+01 -0.145514D+01  0.106567D+01
               141           142           143           144           145 
      1   0.374946D+01 -0.273465D+01 -0.533841D+01 -0.315160D+02  0.321000D+01
      2   0.645377D+01  0.518651D-01  0.209709D+01 -0.213225D+02  0.489597D+01
      3  -0.102032D+02  0.268279D+01  0.324132D+01  0.528385D+02 -0.810597D+01
      4  -0.204334D+01  0.152802D+01 -0.274412D+01 -0.651339D+00 -0.105296D+02
      5   0.189830D+01  0.549720D+01 -0.125351D+01 -0.103608D+02 -0.269167D+01
      6   0.544748D+01  0.464824D+00  0.838331D+01  0.160962D+02  0.259495D+01
               146           147           148           149           150 
      1   0.309460D+01  0.150632D+01  0.241110D+01 -0.231032D+02 -0.639438D+01
      2  -0.103241D+02 -0.250005D+01 -0.102598D+02  0.446266D+02  0.669185D+01
      3   0.722952D+01  0.993728D+00  0.784874D+01 -0.215234D+02 -0.297467D+00
      4   0.172954D+02  0.322806D+01  0.158772D+02 -0.307326D+02 -0.709213D+01
      5   0.483169D+01  0.339353D+01  0.524573D+01 -0.808738D+01 -0.491825D+01
      6  -0.688804D+01 -0.338408D+01 -0.768542D+01  0.208390D+02  0.110462D+02
               151           152           153           154           155 
      1   0.245485D+01 -0.123391D+01 -0.586674D+01 -0.442799D+01  0.969142D+01
      2  -0.593861D+00 -0.348810D+01  0.246063D+01  0.474969D+01 -0.137206D+02
      3  -0.186099D+01  0.472201D+01  0.340610D+01 -0.321701D+00  0.402920D+01
      4  -0.154531D+01  0.809907D+00 -0.395199D+01 -0.177240D+01 -0.231808D+01
      5   0.155107D+01 -0.344740D+01 -0.232470D+01 -0.287808D+00 -0.298156D+01
      6  -0.203219D+01  0.722761D+01  0.421072D+01  0.148310D+01 -0.283989D+01
               156           157           158           159           160 
      1   0.228831D+01  0.620534D+01 -0.255456D+02 -0.494973D+01  0.379055D+01
      2  -0.253404D+01 -0.524599D+01  0.400020D+02  0.661856D+01 -0.280453D+01
      3   0.245724D+00 -0.959350D+00 -0.144564D+02 -0.166883D+01 -0.986016D+00
      4  -0.175565D+01  0.441021D+01  0.199882D+02  0.180451D+01 -0.810365D+00
      5   0.509336D+00 -0.175804D+01  0.313585D+01  0.507282D+01  0.369914D+01
      6  -0.176085D+01 -0.147403D+01  0.649465D+01  0.718423D+01  0.711128D+00
               161           162           163           164           165 
      1  -0.104561D+02 -0.425296D+01  0.172496D+02  0.496953D+01 -0.730438D+01
      2   0.125487D+02  0.455906D+01 -0.106407D+02 -0.196518D+01  0.507755D+01
      3  -0.209260D+01 -0.306108D+00 -0.660886D+01 -0.300435D+01  0.222683D+01
      4   0.492409D+01  0.423062D+01  0.145184D+02  0.112436D+02 -0.117230D+02
      5   0.516222D+01  0.215456D+01 -0.178140D+02 -0.104971D+02  0.193461D+02
      6   0.950553D+01  0.471297D+01 -0.839720D+01 -0.685365D+01  0.864470D+01
               166           167           168           169           170 
      1   0.193754D+00 -0.200614D+01 -0.585636D+00 -0.116843D+02 -0.277923D+01
      2   0.159918D+01  0.553294D+01 -0.154656D+01  0.826865D+01  0.459213D+00
      3  -0.179294D+01 -0.352680D+01  0.213219D+01  0.341569D+01  0.232002D+01
      4   0.951312D+01  0.131317D+02 -0.931873D+01 -0.175732D+02 -0.159968D+02
      5  -0.622107D+01 -0.899365D+01  0.660674D+01  0.231396D+02  0.152417D+02
      6  -0.578869D+01 -0.719428D+01  0.828770D+01  0.123822D+02  0.132200D+02
               171           172           173           174           175 
      1   0.348911D+01  0.598081D+01 -0.217560D+01  0.713473D+01 -0.405351D+01
      2  -0.100871D+02 -0.571895D+01  0.112547D+01 -0.252032D+01  0.205092D+01
      3   0.659801D+01 -0.261861D+00  0.105013D+01 -0.461441D+01  0.200259D+01
      4   0.164665D+02 -0.288941D+01  0.395106D+00 -0.339649D+00  0.333932D+01
      5  -0.307900D+02  0.479988D+01 -0.105794D+01  0.390164D+01 -0.661134D+00
      6  -0.183328D+02  0.271973D+00 -0.803226D+00 -0.453395D+00  0.160322D+01
               176           177           178           179           180 
      1  -0.269160D+01 -0.272646D+01  0.647130D+01 -0.111295D+01 -0.122760D+02
      2   0.157588D+00 -0.414061D+00 -0.106209D+02 -0.597917D+00 -0.219927D+02
      3   0.253402D+01  0.314052D+01  0.414960D+01  0.171087D+01  0.342686D+02
      4   0.285745D+01  0.338419D+01  0.164357D+01  0.613826D+01  0.275648D+01
      5   0.314547D+01  0.419118D+01  0.190427D+02  0.332986D+01  0.470638D+02
      6   0.202491D+01  0.689203D+01  0.191677D+01  0.579331D+01  0.697809D+01
               181           182           183           184           185 
      1   0.776334D+02 -0.190745D+02  0.179572D+01 -0.306268D+02  0.123449D+02
      2  -0.379732D+02  0.894764D+01 -0.214132D+01  0.135639D+02 -0.299016D+01
      3  -0.396603D+02  0.101269D+02  0.345595D+00  0.170628D+02 -0.935471D+01
      4  -0.226644D+02  0.150404D+02 -0.131459D+01  0.180041D+02 -0.121843D+02
      5   0.634939D+01 -0.220308D+01  0.966266D+01 -0.420042D+01 -0.714219D+00
      6  -0.255952D+01  0.146219D+01 -0.797799D+00  0.187578D+01 -0.121595D+01
               186           187           188           189 
      1  -0.145557D+01 -0.142504D+02  0.252215D+01  0.689446D+01
      2   0.147749D+01  0.547384D+01 -0.109513D+01 -0.579660D+01
      3  -0.219221D-01  0.877658D+01 -0.142701D+01 -0.109786D+01
      4  -0.717589D+00  0.295569D+01 -0.501349D+01 -0.261634D+01
      5  -0.414949D+01  0.116922D+02 -0.262852D+01  0.187350D+01
      6   0.165917D+01 -0.550885D+00  0.158530D+01  0.700888D+00
 Leave Link  716 at Fri Jul 23 13:52:14 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119618D+03 -0.224870D-03  0.126949D+01
      2  -0.224870D-03  0.971134D+02  0.183332D-03
      3   0.126949D+01  0.183332D-03  0.921375D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761786D+01 -0.344771D-03  0.150080D+01
      2  -0.181497D-02 -0.276446D+01  0.297874D-02
      3   0.243164D+02 -0.844671D-03 -0.305413D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.166703D-01 -0.237273D+02 -0.361684D-02
      2   0.442188D-02 -0.812818D+01 -0.103801D-01
      3   0.122484D-01  0.318555D+02  0.139969D-01
      4  -0.262089D+02 -0.141566D-02 -0.600715D+00
      5  -0.293096D-02  0.191052D+01  0.118467D-01
      6  -0.129000D+01 -0.124841D-01  0.157423D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339729D+01  0.312391D+01 -0.517641D+01 -0.832210D+00 -0.321672D+01
      2   0.312391D+01 -0.415491D+01  0.903355D+00 -0.321672D+01 -0.239679D+01
      3  -0.517641D+01  0.903355D+00  0.282481D+01  0.184724D+01 -0.136892D+01
                 6             7             8             9            10 
      1   0.184724D+01 -0.211569D+01 -0.112878D+01  0.195309D+01 -0.258415D+00
      2  -0.136892D+01 -0.112878D+01 -0.248073D+01  0.228924D+01  0.773213D+00
      3   0.323145D+01  0.195309D+01  0.228924D+01  0.256136D+01 -0.137531D+01
                11            12            13            14            15 
      1   0.773213D+00 -0.137531D+01  0.236368D+01 -0.112159D+01 -0.276569D+01
      2  -0.769803D-01  0.798920D+00 -0.112159D+01  0.121824D+01  0.119164D+01
      3   0.798920D+00 -0.427914D+00 -0.276569D+01  0.119164D+01 -0.130989D+01
                16            17            18            19            20 
      1  -0.520208D+01 -0.101331D+01  0.106264D+01 -0.119337D-02 -0.570105D+00
      2  -0.101331D+01  0.298154D+01 -0.102556D+01 -0.570105D+00  0.135689D-03
      3   0.106264D+01 -0.102556D+01  0.217352D+00 -0.909777D-04 -0.184933D+00
                21            22            23            24            25 
      1  -0.909777D-04  0.196775D+01 -0.167348D-02  0.335711D+01  0.490025D-03
      2  -0.184933D+00 -0.167348D-02  0.488641D+00  0.132699D-03  0.496433D+01
      3   0.109385D-03  0.335711D+01  0.132699D-03 -0.249187D+01  0.194620D-02
                26            27            28            29            30 
      1   0.496433D+01  0.194620D-02  0.703875D+00 -0.340652D+01  0.311930D+01
      2   0.262803D-03 -0.111178D+01 -0.340652D+01 -0.280029D+00 -0.379917D+00
      3  -0.111178D+01 -0.134103D-02  0.311930D+01 -0.379917D+00  0.207848D+01
                31            32            33            34            35 
      1  -0.603457D+01  0.239656D+01 -0.307434D+00  0.435149D+01  0.136582D+01
      2   0.239656D+01  0.211869D+01  0.315546D+01  0.136582D+01  0.185979D+01
      3  -0.307434D+00  0.315546D+01  0.234142D+01  0.816949D+00  0.159276D+01
                36            37            38            39            40 
      1   0.816949D+00  0.149406D+01 -0.294929D+01  0.668444D+00 -0.198861D+01
      2   0.159276D+01 -0.294929D+01  0.306566D+01 -0.330184D+01  0.270547D+01
      3  -0.334346D+01  0.668444D+00 -0.330184D+01 -0.339592D+01 -0.111923D+01
                41            42            43            44            45 
      1   0.270547D+01 -0.111923D+01  0.251146D+01 -0.424228D+01 -0.275879D+01
      2  -0.184934D+01 -0.226572D+01 -0.424228D+01 -0.218019D+01 -0.531473D-01
      3  -0.226572D+01 -0.256722D+00 -0.275879D+01 -0.531473D-01  0.671488D+00
                46            47            48            49            50 
      1  -0.339657D+01  0.312148D+01  0.517622D+01 -0.832659D+00  0.321730D+01
      2   0.312148D+01  0.415440D+01  0.904663D+00  0.321730D+01 -0.239841D+01
      3   0.517622D+01  0.904663D+00 -0.282687D+01  0.184907D+01  0.136613D+01
                51            52            53            54            55 
      1   0.184907D+01  0.211416D+01 -0.112783D+01 -0.195566D+01  0.263845D+00
      2   0.136613D+01 -0.112783D+01  0.247794D+01  0.229021D+01  0.773296D+00
      3   0.323146D+01 -0.195566D+01  0.229021D+01 -0.255778D+01  0.137578D+01
                56            57            58            59            60 
      1   0.773296D+00  0.137578D+01  0.236189D+01  0.112278D+01 -0.276508D+01
      2   0.759670D-01  0.798450D+00  0.112278D+01  0.122062D+01 -0.119015D+01
      3   0.798450D+00  0.428030D+00 -0.276508D+01 -0.119015D+01 -0.130984D+01
                61            62            63            64            65 
      1   0.520281D+01 -0.101329D+01 -0.106465D+01 -0.149608D+01 -0.295296D+01
      2  -0.101329D+01 -0.298042D+01 -0.102722D+01 -0.295296D+01 -0.306252D+01
      3  -0.106465D+01 -0.102722D+01 -0.218802D+00 -0.667718D+00 -0.330358D+01
                66            67            68            69            70 
      1  -0.667718D+00 -0.198991D+01 -0.270245D+01 -0.112064D+01 -0.251069D+01
      2  -0.330358D+01 -0.270245D+01 -0.185119D+01  0.226663D+01 -0.424298D+01
      3   0.339297D+01 -0.112064D+01  0.226663D+01 -0.253653D+00  0.275678D+01
                71            72            73            74            75 
      1  -0.424298D+01  0.275678D+01 -0.710694D+00 -0.340526D+01 -0.312161D+01
      2   0.218117D+01 -0.489610D-01 -0.340526D+01  0.280794D+00 -0.377436D+00
      3  -0.489610D-01 -0.675140D+00 -0.312161D+01 -0.377436D+00 -0.207533D+01
                76            77            78            79            80 
      1  -0.603280D+01 -0.239745D+01 -0.305574D+00 -0.435392D+01  0.136748D+01
      2  -0.239745D+01  0.212162D+01 -0.315560D+01  0.136748D+01 -0.186012D+01
      3  -0.305574D+00 -0.315560D+01  0.233801D+01 -0.812467D+00  0.159009D+01
                81            82            83            84            85 
      1  -0.812467D+00  0.172502D+01  0.162752D+01 -0.159386D+00  0.286075D+01
      2   0.159009D+01  0.162752D+01  0.316547D+01 -0.777000D+00  0.294150D+01
      3   0.334773D+01 -0.159386D+00 -0.777000D+00  0.368761D+00 -0.928702D+00
                86            87            88            89            90 
      1   0.294150D+01 -0.928702D+00  0.935610D+00 -0.398135D-01  0.290358D+00
      2   0.956888D+01 -0.203196D+01 -0.398135D-01  0.356992D+00  0.126997D+01
      3  -0.203196D+01  0.169437D+01  0.290358D+00  0.126997D+01 -0.124106D+01
                91            92            93            94            95 
      1  -0.979972D+00 -0.968469D-01 -0.460570D+00 -0.937291D+00  0.547435D+00
      2  -0.968469D-01  0.193450D+00 -0.212302D-01  0.547435D+00  0.442384D+00
      3  -0.460570D+00 -0.212302D-01 -0.170223D+01 -0.325759D+00 -0.118080D+01
                96            97            98            99           100 
      1  -0.325759D+00 -0.168591D+01  0.919419D-01 -0.258908D+00  0.875370D+00
      2  -0.118080D+01  0.919419D-01 -0.152331D+01  0.103125D+01  0.607755D+00
      3  -0.170051D+01 -0.258908D+00  0.103125D+01 -0.100883D+02  0.888513D+00
               101           102           103           104           105 
      1   0.607755D+00  0.888513D+00  0.616023D+00  0.319802D+00  0.179390D+00
      2  -0.261040D+00  0.247328D+00  0.319802D+00 -0.594173D+00  0.683037D+00
      3   0.247328D+00 -0.400636D+00  0.179390D+00  0.683037D+00 -0.943966D+00
               106           107           108           109           110 
      1   0.250279D+01 -0.360432D+00  0.267023D+01  0.105516D+02  0.277682D+01
      2  -0.360432D+00  0.119353D+01 -0.700738D+00  0.277682D+01  0.182971D+01
      3   0.267023D+01 -0.700738D+00  0.940186D+01  0.457203D+00  0.158548D+00
               111           112           113           114           115 
      1   0.457203D+00  0.496338D+01  0.196128D+01  0.320213D+00 -0.200105D+01
      2   0.158548D+00  0.196128D+01  0.149129D+01 -0.174571D+00 -0.332700D+00
      3   0.110807D+01  0.320213D+00 -0.174571D+00  0.557459D+00  0.147361D+01
               116           117           118           119           120 
      1  -0.332700D+00  0.147361D+01 -0.561781D+00 -0.644759D+00  0.741511D-01
      2  -0.886820D+00  0.283337D+00 -0.644759D+00 -0.276728D+01  0.901931D+00
      3   0.283337D+00  0.469183D+00  0.741511D-01  0.901931D+00 -0.285366D+00
               121           122           123           124           125 
      1  -0.136098D+01 -0.423729D+00  0.391582D+00  0.837117D+00  0.721610D+00
      2  -0.423729D+00 -0.773363D+01  0.109298D+01  0.721610D+00  0.232908D+01
      3   0.391582D+00  0.109298D+01 -0.127937D+01  0.335241D+00 -0.156541D+01
               126           127           128           129           130 
      1   0.335241D+00  0.350542D+01 -0.152588D+01 -0.224372D+01 -0.633628D+00
      2  -0.156541D+01 -0.152588D+01  0.130155D+01  0.156226D+01  0.119828D+01
      3   0.929842D+00 -0.224372D+01  0.156226D+01  0.274856D+01  0.102935D+01
               131           132           133           134           135 
      1   0.119828D+01  0.102935D+01 -0.399552D+01  0.245551D+01  0.336634D+01
      2  -0.250938D+01 -0.144440D+01  0.245551D+01 -0.264513D+01 -0.256543D+01
      3  -0.144440D+01 -0.108837D+01  0.336634D+01 -0.256543D+01 -0.529051D+01
               136           137           138           139           140 
      1   0.981280D+00 -0.968305D-01  0.460528D+00 -0.937743D+00 -0.547130D+00
      2  -0.968305D-01 -0.192960D+00 -0.212464D-01 -0.547130D+00  0.441621D+00
      3   0.460528D+00 -0.212464D-01  0.170436D+01 -0.326214D+00  0.118111D+01
               141           142           143           144           145 
      1  -0.326214D+00  0.168599D+01  0.919424D-01  0.261108D+00 -0.172550D+01
      2   0.118111D+01  0.919424D-01  0.152294D+01  0.102953D+01  0.162741D+01
      3  -0.170153D+01  0.261108D+00  0.102953D+01  0.100871D+02  0.159970D+00
               146           147           148           149           150 
      1   0.162741D+01  0.159970D+00  0.286099D+01 -0.294112D+01 -0.929348D+00
      2  -0.316532D+01 -0.777696D+00 -0.294112D+01  0.956702D+01  0.203359D+01
      3  -0.777696D+00 -0.369112D+00 -0.929348D+00  0.203359D+01  0.169504D+01
               151           152           153           154           155 
      1  -0.934522D+00 -0.403947D-01 -0.290246D+00  0.561329D+00 -0.643256D+00
      2  -0.403947D-01 -0.354696D+00  0.127006D+01 -0.643256D+00  0.276498D+01
      3  -0.290246D+00  0.127006D+01  0.124187D+01 -0.746648D-01  0.902827D+00
               156           157           158           159           160 
      1  -0.746648D-01 -0.135988D+01  0.422037D+00  0.391670D+00 -0.838234D+00
      2   0.902827D+00  0.422037D+00 -0.773305D+01 -0.109602D+01  0.721155D+00
      3   0.285728D+00  0.391670D+00 -0.109602D+01 -0.128045D+01 -0.335144D+00
               161           162           163           164           165 
      1   0.721155D+00 -0.335144D+00 -0.350216D+01 -0.152500D+01  0.224216D+01
      2  -0.233258D+01 -0.156720D+01 -0.152500D+01 -0.130165D+01  0.156230D+01
      3  -0.156720D+01 -0.932085D+00  0.224216D+01  0.156230D+01 -0.274669D+01
               166           167           168           169           170 
      1  -0.633893D+00 -0.119900D+01  0.102975D+01  0.399447D+01  0.245591D+01
      2  -0.119900D+01 -0.251106D+01  0.144476D+01  0.245591D+01  0.264624D+01
      3   0.102975D+01  0.144476D+01 -0.108945D+01 -0.336503D+01 -0.256678D+01
               171           172           173           174           175 
      1  -0.336503D+01 -0.877056D+00  0.608026D+00 -0.888982D+00  0.616880D+00
      2  -0.256678D+01  0.608026D+00  0.260295D+00  0.246811D+00 -0.320198D+00
      3   0.529106D+01 -0.888982D+00  0.246811D+00  0.397947D+00  0.179481D+00
               176           177           178           179           180 
      1  -0.320198D+00  0.179481D+00 -0.250406D+01 -0.360001D+00 -0.267322D+01
      2  -0.593258D+00 -0.682776D+00 -0.360001D+00 -0.119329D+01 -0.698233D+00
      3  -0.682776D+00 -0.941219D+00 -0.267322D+01 -0.698233D+00 -0.940282D+01
               181           182           183           184           185 
      1  -0.105496D+02  0.277729D+01 -0.453808D+00  0.496284D+01 -0.196139D+01
      2   0.277729D+01 -0.182972D+01  0.157491D+00 -0.196139D+01  0.149127D+01
      3  -0.453808D+00  0.157491D+00 -0.110777D+01  0.318824D+00  0.175441D+00
               186           187           188           189 
      1   0.318824D+00  0.200530D+01 -0.333877D+00 -0.147418D+01
      2   0.175441D+00 -0.333877D+00  0.887802D+00  0.284010D+00
      3   0.557629D+00 -0.147418D+01  0.284010D+00 -0.467466D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.386086D+01  0.463318D+01 -0.619025D+01  0.482440D+01  0.821883D+01
      2  -0.210390D+01  0.188222D+01  0.243520D+01  0.411222D+01 -0.710911D+01
      3   0.179302D+00  0.341464D+01 -0.599490D+01  0.608727D+01 -0.232495D+01
                 6             7             8             9            10 
      1  -0.775197D+01 -0.318805D+01  0.406768D+01 -0.943284D+01 -0.115762D+00
      2   0.555547D+01 -0.503357D+01  0.194984D+01  0.606718D+01 -0.507723D+00
      3   0.316191D+01 -0.568735D+01  0.215974D+01  0.951805D+00  0.464415D+01
                11            12            13            14            15 
      1   0.916387D+00  0.217862D+01 -0.230833D+01  0.783269D+00 -0.398272D+01
      2  -0.304972D+00  0.348407D+01 -0.218732D+01  0.208942D+01 -0.478690D+01
      3  -0.772298D+01 -0.184730D-01  0.131919D+02 -0.400853D+01 -0.156164D+01
                16            17            18            19            20 
      1  -0.725364D+01  0.450906D+01 -0.276622D+00  0.147817D-02 -0.192159D+01
      2  -0.966844D+01  0.242520D+01 -0.181208D+00 -0.442409D+01 -0.866977D-03
      3  -0.619855D+00 -0.588883D+01  0.254275D+01 -0.567624D-03 -0.534523D+01
                21            22            23            24            25 
      1  -0.188557D-03  0.395782D+01 -0.376895D-03 -0.119646D+01 -0.924956D-03
      2   0.661348D+01 -0.106602D-03 -0.441706D+00  0.243286D-03 -0.139347D+02
      3   0.126563D-03  0.144145D+02 -0.222004D-02 -0.775290D+00  0.698212D-04
                26            27            28            29            30 
      1   0.359501D+01  0.182173D-02 -0.334780D+01  0.119794D+01  0.274418D+00
      2  -0.655278D-03  0.165669D+01  0.129893D+02  0.237599D+01  0.859179D+01
      3   0.529661D+01  0.208860D-02  0.904808D+01 -0.250128D+01  0.292926D+00
                31            32            33            34            35 
      1  -0.174245D+01  0.378781D+01 -0.171087D-01  0.265613D+01  0.503720D+01
      2   0.388761D+01  0.931005D+01  0.740261D+01 -0.552258D+01  0.386359D+01
      3  -0.200477D+01 -0.781334D+01 -0.897823D+01 -0.294410D+01 -0.823187D+01
                36            37            38            39            40 
      1   0.260953D+01  0.176332D+01 -0.781819D+01 -0.400281D+01 -0.476611D+01
      2  -0.129263D+02 -0.663552D+00 -0.704216D+01 -0.522949D+01 -0.467024D+01
      3  -0.624464D+01  0.796221D+01 -0.932066D+01  0.700508D+01  0.213362D+00
                41            42            43            44            45 
      1  -0.479164D+01 -0.299370D+01 -0.590404D+01  0.634624D+01  0.160182D+01
      2  -0.384106D+01 -0.208500D+01 -0.745055D+01 -0.193008D+01 -0.565038D-03
      3  -0.348702D+00  0.973893D+01  0.871607D+01  0.126705D+02  0.650622D+01
                46            47            48            49            50 
      1  -0.386248D+01  0.463208D+01  0.619514D+01  0.482348D+01 -0.821717D+01
      2  -0.210419D+01 -0.188135D+01  0.243664D+01 -0.411180D+01 -0.710696D+01
      3  -0.179842D+00  0.341060D+01  0.599518D+01  0.608357D+01  0.232294D+01
                51            52            53            54            55 
      1  -0.775529D+01  0.319565D+01  0.406240D+01  0.942765D+01  0.115655D+00
      2  -0.555751D+01 -0.503043D+01 -0.195322D+01  0.606648D+01 -0.508116D+00
      3   0.316110D+01  0.568633D+01  0.215896D+01 -0.954150D+00 -0.464207D+01
                56            57            58            59            60 
      1   0.915877D+00 -0.217871D+01 -0.231009D+01 -0.783713D+00 -0.398220D+01
      2   0.305629D+00  0.348458D+01  0.218705D+01  0.208739D+01  0.478648D+01
      3  -0.772392D+01  0.182390D-01  0.131936D+02  0.401257D+01 -0.155822D+01
                61            62            63            64            65 
      1   0.725349D+01  0.450807D+01  0.277539D+00 -0.176084D+01 -0.781733D+01
      2  -0.966704D+01 -0.242215D+01 -0.179294D+00 -0.664089D+00  0.704762D+01
      3   0.620509D+00 -0.588735D+01 -0.254621D+01 -0.796882D+01 -0.930609D+01
                66            67            68            69            70 
      1   0.399928D+01 -0.476516D+01  0.479310D+01 -0.298730D+01  0.590240D+01
      2  -0.522356D+01  0.467318D+01 -0.384643D+01  0.207745D+01 -0.744616D+01
      3  -0.701255D+01  0.227022D+00  0.337728D+00  0.974549D+01 -0.871872D+01
                71            72            73            74            75 
      1   0.635422D+01 -0.160578D+01  0.334597D+01  0.119762D+01 -0.275569D+00
      2   0.191844D+01  0.103668D-01  0.129915D+02 -0.238248D+01  0.857973D+01
      3   0.126764D+02 -0.649223D+01 -0.904427D+01 -0.250244D+01 -0.285606D+00
                76            77            78            79            80 
      1  -0.174134D+01 -0.378807D+01 -0.194884D-01 -0.265835D+01  0.503450D+01
      2  -0.389149D+01  0.931066D+01 -0.739061D+01 -0.553917D+01 -0.385240D+01
      3  -0.200932D+01  0.782467D+01 -0.898064D+01  0.294718D+01 -0.823347D+01
                81            82            83            84            85 
      1  -0.260705D+01 -0.262273D+01 -0.350354D+01 -0.310987D+00 -0.246560D+01
      2  -0.129361D+02  0.198297D+01  0.115280D+01  0.105422D+01  0.253567D+01
      3   0.623520D+01  0.138836D+01 -0.256628D+01  0.771893D+00  0.412425D+01
                86            87            88            89            90 
      1  -0.107305D+02 -0.209001D+01 -0.432359D+00 -0.152152D+01  0.274643D+00
      2   0.169925D+01  0.136730D+01  0.477533D-01  0.138962D+01 -0.941173D+00
      3  -0.488002D+01  0.506678D+00  0.129469D+01 -0.114404D+00 -0.733428D+00
                91            92            93            94            95 
      1   0.176055D+01  0.824555D-01  0.311485D+01 -0.262673D+00  0.158693D+01
      2  -0.312265D+01 -0.450736D+00 -0.133001D+01 -0.202928D+01 -0.753655D+00
      3  -0.870490D+00 -0.580631D+00 -0.559697D+00 -0.438275D+00  0.978512D-01
                96            97            98            99           100 
      1   0.317534D+01  0.385549D+00  0.340173D+01  0.134783D+02  0.106341D+01
      2  -0.271881D+01 -0.574614D+01  0.108541D+01 -0.109066D+02  0.286535D+01
      3   0.519947D+00 -0.225263D+01  0.113786D+01 -0.139414D+01 -0.145266D+01
               101           102           103           104           105 
      1  -0.129647D+00  0.311303D+00  0.246716D+00 -0.690809D+00 -0.537406D+00
      2   0.188229D+00 -0.149536D+01 -0.365583D+00  0.198132D+01 -0.309126D+01
      3  -0.978447D-01 -0.100533D+01 -0.271332D+00  0.155129D+01 -0.177453D+01
               106           107           108           109           110 
      1   0.281995D-01  0.383195D+01  0.149187D+01  0.332840D+01  0.169201D+01
      2   0.257488D+01 -0.171576D+01  0.265489D+02 -0.668524D+01 -0.151772D+01
      3   0.737817D+00 -0.366336D+01  0.181270D+01 -0.820577D+01 -0.830854D+01
               111           112           113           114           115 
      1  -0.547657D+00  0.218440D+01  0.136003D+01 -0.104784D+01 -0.401836D+00
      2   0.542897D+01 -0.243771D+01 -0.213678D+01  0.231738D+01  0.484402D+01
      3  -0.606237D+00 -0.398775D+01 -0.485987D+01  0.561285D+00  0.783461D+00
               116           117           118           119           120 
      1   0.321259D+00  0.723273D+00  0.794027D+00  0.251646D+01 -0.156959D+01
      2   0.128924D+01  0.356273D+00  0.543287D+00  0.132053D+01 -0.763698D-02
      3   0.265079D+01 -0.901988D+00  0.285432D+01  0.804634D+01 -0.287879D+01
               121           122           123           124           125 
      1   0.698154D+00  0.439182D+01 -0.480312D+01  0.388152D+00 -0.251892D+01
      2   0.663380D+00  0.182808D+01 -0.207071D+01 -0.313828D+00 -0.303670D+01
      3   0.621479D+01  0.206296D+02 -0.352736D+01 -0.395767D+01 -0.732164D+01
               126           127           128           129           130 
      1   0.259253D+01 -0.345909D+01  0.137366D+01  0.435756D+01  0.129700D+01
      2   0.149112D+01 -0.276766D+01  0.313739D+01  0.680166D+01  0.174142D+01
      3   0.378445D+01 -0.165022D+01 -0.196862D+01 -0.774934D+00 -0.428726D+00
               131           132           133           134           135 
      1  -0.974698D+00 -0.239343D+01  0.426456D+01 -0.991365D+00 -0.799839D+01
      2  -0.284614D+01 -0.253703D+01  0.332910D+01 -0.443719D+01 -0.106533D+02
      3   0.502140D+01  0.205731D+01  0.238253D-01  0.395239D+01  0.151981D+01
               136           137           138           139           140 
      1  -0.176125D+01  0.841805D-01 -0.311737D+01 -0.261684D+00 -0.158816D+01
      2  -0.312636D+01  0.450974D+00 -0.133164D+01  0.203138D+01 -0.754321D+00
      3   0.871403D+00 -0.580080D+00  0.559668D+00 -0.437863D+00 -0.983101D-01
               141           142           143           144           145 
      1   0.317679D+01 -0.388876D+00  0.340440D+01 -0.134744D+02  0.262256D+01
      2   0.272036D+01 -0.574978D+01 -0.108319D+01 -0.109068D+02  0.198371D+01
      3   0.519484D+00  0.225142D+01  0.113643D+01  0.139439D+01 -0.138882D+01
               146           147           148           149           150 
      1  -0.350399D+01  0.310137D+00 -0.246508D+01  0.107293D+02 -0.208729D+01
      2  -0.115262D+01  0.105385D+01 -0.253662D+01  0.169908D+01 -0.136672D+01
      3  -0.256618D+01 -0.772058D+00  0.412389D+01  0.487751D+01  0.506841D+00
               151           152           153           154           155 
      1   0.430945D+00 -0.151798D+01 -0.275429D+00 -0.793985D+00  0.251521D+01
      2   0.464321D-01 -0.138883D+01 -0.942135D+00  0.545005D+00 -0.132338D+01
      3  -0.129347D+01 -0.112958D+00  0.733670D+00 -0.285064D+01  0.803656D+01
               156           157           158           159           160 
      1   0.156953D+01  0.697401D+00 -0.439180D+01 -0.480529D+01 -0.388330D+00
      2  -0.891743D-02 -0.665588D+00  0.183607D+01  0.207393D+01 -0.314932D+00
      3   0.288207D+01  0.620687D+01 -0.206257D+02 -0.353558D+01  0.395857D+01
               161           162           163           164           165 
      1  -0.252165D+01 -0.259678D+01  0.345778D+01  0.137483D+01 -0.435573D+01
      2   0.304139D+01  0.149576D+01 -0.276702D+01 -0.313852D+01  0.679819D+01
      3  -0.733017D+01 -0.378971D+01  0.164872D+01 -0.196958D+01  0.777240D+00
               166           167           168           169           170 
      1   0.129778D+01  0.975541D+00 -0.239601D+01 -0.426411D+01 -0.994458D+00
      2  -0.174186D+01 -0.284668D+01  0.253943D+01  0.332768D+01  0.444046D+01
      3  -0.429888D+00 -0.502423D+01  0.205729D+01 -0.222642D-01  0.395338D+01
               171           172           173           174           175 
      1   0.800113D+01 -0.106282D+01 -0.128109D+00 -0.311430D+00  0.246911D+00
      2  -0.106560D+02  0.286384D+01 -0.186707D+00 -0.148677D+01  0.366174D+00
      3  -0.152416D+01  0.145399D+01 -0.100189D+00  0.100357D+01 -0.272400D+00
               176           177           178           179           180 
      1   0.689541D+00 -0.536556D+00 -0.283959D-01  0.383209D+01 -0.148889D+01
      2   0.198009D+01  0.308293D+01  0.258483D+01  0.170911D+01  0.265518D+02
      3  -0.154900D+01 -0.177360D+01 -0.738178D+00 -0.366382D+01 -0.180588D+01
               181           182           183           184           185 
      1  -0.332724D+01  0.169052D+01  0.549455D+00  0.218372D+01 -0.135937D+01
      2  -0.668965D+01  0.152021D+01  0.543097D+01  0.243952D+01 -0.213858D+01
      3   0.820375D+01 -0.830820D+01  0.602492D+00 -0.398669D+01  0.485918D+01
               186           187           188           189 
      1  -0.104889D+01  0.403726D+00  0.320681D+00 -0.723802D+00
      2  -0.231904D+01  0.484863D+01 -0.129200D+01  0.349764D+00
      3   0.563932D+00 -0.785720D+00  0.265484D+01  0.903447D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.905090D+01  0.147702D+02 -0.405342D+01  0.752571D+01 -0.299424D+01
      2  -0.102367D+01 -0.172351D+02  0.116488D+02 -0.107107D+02 -0.145989D+02
      3   0.100746D+02  0.246486D+01 -0.759533D+01  0.318499D+01  0.175932D+02
      4   0.731751D+01 -0.537306D+01 -0.331020D+01 -0.781946D+01 -0.159761D+02
      5  -0.133286D+02 -0.176360D+01  0.118566D+02  0.858600D+00  0.259437D+01
      6  -0.151428D+02  0.756494D+01  0.242722D+01  0.912821D+01  0.581547D-01
                 6             7             8             9            10 
      1   0.955403D+01  0.118952D+01  0.623118D+01  0.941256D+01 -0.894579D+00
      2   0.116775D+01  0.410603D+01 -0.317885D+01  0.125964D+02 -0.992829D+00
      3  -0.107218D+02 -0.529555D+01 -0.305233D+01 -0.220090D+02  0.188741D+01
      4   0.628367D+00 -0.653707D+01 -0.352293D+01  0.744306D+01  0.376137D+01
      5   0.337289D+01  0.994975D+01  0.496758D+01 -0.315404D+01 -0.108669D+02
      6   0.767284D+01  0.474143D+01  0.808655D+01 -0.420887D+01  0.178179D+01
                11            12            13            14            15 
      1   0.184083D+01 -0.512625D+01 -0.146270D+01 -0.150372D+01 -0.546786D+01
      2   0.119543D+01  0.175794D+01  0.483635D+01  0.219574D+00  0.229472D+01
      3  -0.303625D+01  0.336831D+01 -0.337365D+01  0.128415D+01  0.317314D+01
      4  -0.128551D+01  0.446903D+01 -0.685725D+01  0.795324D+01  0.238188D+01
      5   0.594315D+01 -0.147907D+01 -0.261267D+01  0.108745D+01 -0.336715D+01
      6  -0.174498D+01  0.335288D+00 -0.393591D+01  0.144091D+01 -0.763563D+00
                16            17            18            19            20 
      1  -0.965192D+01 -0.381839D+01 -0.839932D+00 -0.111417D+01 -0.180819D-02
      2   0.516203D+01  0.167987D+01 -0.230997D+01  0.460641D+01  0.113959D-03
      3   0.448989D+01  0.213852D+01  0.314991D+01 -0.349224D+01  0.169423D-02
      4   0.506907D+00  0.632672D+01 -0.263399D+01 -0.331878D-02  0.111131D+01
      5  -0.230716D+01 -0.145921D+01  0.596982D+00  0.112543D+02  0.570653D-03
      6   0.465566D+01 -0.174499D+01  0.187402D+01  0.222362D-02  0.138217D+01
                21            22            23            24            25 
      1   0.183894D+01 -0.505854D-03 -0.540388D+00  0.142014D-02 -0.737221D+01
      2  -0.316757D+01 -0.184418D-02  0.326095D+01 -0.436889D-03  0.156012D+01
      3   0.132863D+01  0.235003D-02 -0.272056D+01 -0.983254D-03  0.581209D+01
      4   0.151261D-02 -0.404192D+01  0.162787D-02  0.386645D+00  0.418648D-02
      5  -0.634820D+01  0.441760D-02  0.460605D-02  0.299235D-04 -0.133910D+02
      6  -0.229677D-03  0.700852D+01  0.702070D-03 -0.356191D+01  0.882426D-03
                26            27            28            29            30 
      1  -0.524166D-03 -0.193051D+01 -0.948091D+01 -0.192959D+02  0.151731D+02
      2   0.129904D-02 -0.402319D-01  0.190655D+00  0.937158D+01 -0.919566D+01
      3  -0.774878D-03  0.197074D+01  0.929026D+01  0.992433D+01 -0.597748D+01
      4  -0.138799D+00 -0.505160D-03 -0.239212D+02 -0.170286D+01 -0.338114D+01
      5  -0.842437D-03  0.408908D+01  0.213029D+02 -0.431014D+01  0.133890D+02
      6  -0.247744D+01 -0.203991D-02 -0.514089D+01  0.117859D+01 -0.253428D+01
                31            32            33            34            35 
      1  -0.302313D+02  0.616262D+01 -0.417009D+00  0.268614D+02  0.354837D+01
      2   0.139542D+02 -0.664754D+01 -0.356081D+01 -0.120133D+02 -0.528836D+01
      3   0.162771D+02  0.484920D+00  0.397782D+01 -0.148481D+02  0.173998D+01
      4   0.743510D+01  0.113711D+02  0.147430D+02  0.383076D+01  0.104267D+02
      5  -0.524759D+01  0.170247D+02  0.969894D+01  0.919767D+01  0.711939D+01
      6  -0.529317D+00  0.167173D+01  0.173852D+01 -0.199649D+01  0.180774D+01
                36            37            38            39            40 
      1   0.177852D+02  0.841917D+00 -0.512568D+01 -0.617712D+01 -0.261275D+01
      2   0.225260D+01  0.712843D+01 -0.819208D+01  0.491807D+01 -0.804925D+01
      3  -0.200378D+02 -0.797035D+01  0.133178D+02  0.125904D+01  0.106620D+02
      4   0.603354D+01 -0.110650D+02  0.127097D+02 -0.129564D+02  0.155871D+02
      5  -0.141952D+02  0.567844D+01 -0.147396D+02 -0.164353D+02 -0.646373D+01
      6   0.387593D+01 -0.145192D+00  0.801383D+01  0.850234D+01  0.538082D+01
                41            42            43            44            45 
      1   0.113234D+02 -0.108538D+02  0.795118D+00 -0.203936D+02 -0.125763D+02
      2  -0.460503D+01  0.121503D+02  0.175314D+01  0.176011D+02  0.895363D+01
      3  -0.671832D+01 -0.129648D+01 -0.254826D+01  0.279248D+01  0.362270D+01
      4  -0.185797D+02 -0.333458D+01 -0.181209D+02 -0.128529D+01  0.526520D+01
      5  -0.729245D+01  0.970620D+00 -0.149498D+02  0.231749D+01  0.775390D+01
      6   0.666324D+01 -0.130034D+01  0.112748D+02 -0.405511D+01 -0.373383D+01
                46            47            48            49            50 
      1  -0.905164D+01 -0.147660D+02 -0.404795D+01 -0.752782D+01 -0.298828D+01
      2  -0.103083D+01  0.172286D+02  0.116562D+02  0.107055D+02 -0.145981D+02
      3   0.100825D+02 -0.246267D+01 -0.760825D+01 -0.317765D+01  0.175864D+02
      4  -0.730609D+01 -0.537505D+01  0.330476D+01 -0.782173D+01  0.159762D+02
      5  -0.133262D+02  0.175758D+01  0.118573D+02 -0.867080D+00  0.260259D+01
      6   0.151361D+02  0.756825D+01 -0.242510D+01  0.913382D+01 -0.728921D-01
                51            52            53            54            55 
      1  -0.955360D+01  0.119747D+01 -0.623045D+01  0.940953D+01 -0.909984D+00
      2  -0.117632D+01  0.411418D+01  0.316611D+01  0.125884D+02 -0.985188D+00
      3   0.107299D+02 -0.531165D+01  0.306434D+01 -0.219979D+02  0.189517D+01
      4   0.637288D+00  0.653111D+01 -0.351379D+01 -0.744433D+01 -0.376415D+01
      5  -0.336754D+01  0.995277D+01 -0.496618D+01 -0.316780D+01 -0.108694D+02
      6   0.766560D+01 -0.474160D+01  0.808154D+01  0.422174D+01 -0.178107D+01
                56            57            58            59            60 
      1  -0.184219D+01 -0.512664D+01  0.146518D+01 -0.150837D+01  0.546663D+01
      2  -0.119363D+01  0.175897D+01 -0.483593D+01  0.221689D+00 -0.229361D+01
      3   0.303582D+01  0.336767D+01  0.337076D+01  0.128668D+01 -0.317302D+01
      4  -0.128222D+01 -0.446808D+01 -0.686043D+01 -0.795827D+01  0.237767D+01
      5  -0.594066D+01 -0.148039D+01  0.261518D+01  0.108491D+01  0.336701D+01
      6  -0.174529D+01 -0.335587D+00 -0.393446D+01 -0.143767D+01 -0.761949D+00
                61            62            63            64            65 
      1  -0.965605D+01  0.382012D+01 -0.833177D+00  0.845862D+00  0.514803D+01
      2   0.516372D+01 -0.168076D+01 -0.231210D+01  0.713199D+01  0.817053D+01
      3   0.449233D+01 -0.213936D+01  0.314527D+01 -0.797785D+01 -0.133186D+02
      4  -0.506781D+00  0.632309D+01  0.263962D+01  0.110801D+02  0.127059D+02
      5  -0.229971D+01  0.146484D+01  0.602785D+00  0.566970D+01  0.147458D+02
      6  -0.465461D+01 -0.174245D+01 -0.187630D+01  0.143718D+00  0.802186D+01
                66            67            68            69            70 
      1  -0.618434D+01  0.262595D+01  0.113124D+02  0.108628D+02  0.787027D+00
      2   0.493022D+01  0.803343D+01 -0.459284D+01 -0.121594D+02  0.176356D+01
      3   0.125412D+01 -0.106594D+02 -0.671956D+01  0.129668D+01 -0.255059D+01
      4   0.129619D+02  0.155807D+02  0.185766D+02 -0.333312D+01  0.181229D+02
      5  -0.164214D+02  0.646861D+01 -0.729237D+01 -0.981813D+00 -0.149388D+02
      6  -0.849685D+01  0.538732D+01 -0.666930D+01 -0.131349D+01 -0.112710D+02
                71            72            73            74            75 
      1   0.203994D+02 -0.125537D+02 -0.944507D+01  0.192938D+02  0.151977D+02
      2  -0.176080D+02  0.893562D+01  0.171234D+00 -0.936877D+01 -0.920213D+01
      3  -0.279137D+01  0.361811D+01  0.927383D+01 -0.992508D+01 -0.599552D+01
      4  -0.128554D+01 -0.527768D+01  0.239162D+02 -0.170777D+01  0.336652D+01
      5  -0.233266D+01  0.776636D+01  0.213288D+02  0.429418D+01  0.133750D+02
      6  -0.407065D+01  0.374182D+01  0.513361D+01  0.117721D+01  0.252860D+01
                76            77            78            79            80 
      1   0.302246D+02  0.616633D+01  0.400626D+00  0.268878D+02 -0.356391D+01
      2  -0.139475D+02 -0.664877D+01  0.356313D+01 -0.120187D+02  0.528926D+01
      3  -0.162770D+02  0.482440D+00 -0.396375D+01 -0.148691D+02 -0.172535D+01
      4   0.743631D+01 -0.113871D+02  0.147441D+02 -0.384406D+01  0.104282D+02
      5   0.522862D+01  0.170258D+02 -0.968716D+01  0.917126D+01 -0.710918D+01
      6  -0.529378D+00 -0.167590D+01  0.174174D+01  0.199271D+01  0.180978D+01
                81            82            83            84            85 
      1   0.177610D+02  0.320952D+01 -0.309391D+01  0.150611D+01 -0.241137D+01
      2   0.227176D+01  0.489775D+01  0.103271D+02 -0.249906D+01  0.102645D+02
      3  -0.200327D+02 -0.810727D+01 -0.723320D+01  0.992952D+00 -0.785312D+01
      4  -0.602335D+01  0.105293D+02  0.172974D+02 -0.322422D+01  0.158803D+02
      5  -0.142269D+02 -0.268818D+01 -0.482798D+01  0.339152D+01 -0.524272D+01
      6  -0.386828D+01 -0.259125D+01 -0.688443D+01  0.338177D+01 -0.768137D+01
                86            87            88            89            90 
      1  -0.231061D+02  0.638978D+01  0.245585D+01  0.122869D+01 -0.586508D+01
      2   0.446426D+02 -0.668678D+01 -0.591841D+00  0.349746D+01  0.246113D+01
      3  -0.215365D+02  0.296993D+00 -0.186401D+01 -0.472615D+01  0.340395D+01
      4   0.307411D+02 -0.708720D+01  0.154924D+01  0.817478D+00  0.395151D+01
      5  -0.808226D+01  0.491546D+01  0.155061D+01  0.344635D+01 -0.232272D+01
      6  -0.208285D+02  0.110408D+02  0.203127D+01  0.722506D+01 -0.420668D+01
                91            92            93            94            95 
      1  -0.776778D+00 -0.412106D+00 -0.532544D+01 -0.281725D+01 -0.407828D+01
      2  -0.278186D+01  0.103946D+01 -0.335848D+01  0.202351D+01  0.139779D+01
      3   0.355864D+01 -0.627354D+00  0.868392D+01  0.793740D+00  0.268050D+01
      4  -0.119250D+01  0.200333D+01 -0.167362D+01  0.234943D+01  0.190522D+01
      5   0.184808D+01 -0.400883D+00  0.509878D+01  0.154271D+01 -0.190858D+01
      6   0.305354D+00  0.209059D+00 -0.299593D+01 -0.145562D+01 -0.106843D+01
                96            97            98            99           100 
      1  -0.374464D+01 -0.273014D+01  0.534443D+01 -0.315169D+02  0.597312D+01
      2  -0.645303D+01  0.570184D-01 -0.209544D+01 -0.213226D+02 -0.571292D+01
      3   0.101977D+02  0.267312D+01 -0.324900D+01  0.528394D+02 -0.260204D+00
      4  -0.204358D+01 -0.152933D+01 -0.274573D+01  0.654840D+00  0.288786D+01
      5  -0.189883D+01  0.549962D+01  0.125593D+01 -0.103729D+02  0.479302D+01
      6   0.544664D+01 -0.461956D+00  0.838727D+01 -0.161124D+02 -0.273218D+00
               101           102           103           104           105 
      1   0.217146D+01  0.713757D+01  0.405001D+01 -0.269557D+01  0.273409D+01
      2  -0.112381D+01 -0.251467D+01 -0.204893D+01  0.160049D+00  0.415038D+00
      3  -0.104765D+01 -0.462290D+01 -0.200108D+01  0.253552D+01 -0.314913D+01
      4   0.391610D+00  0.340143D+00  0.333696D+01 -0.286114D+01  0.338344D+01
      5   0.105901D+01  0.388824D+01  0.659873D+00  0.314444D+01 -0.420304D+01
      6  -0.805366D+00  0.456613D+00  0.160183D+01 -0.203068D+01  0.689529D+01
               106           107           108           109           110 
      1   0.646883D+01  0.111894D+01 -0.122936D+02  0.776440D+02  0.190709D+02
      2  -0.106112D+02  0.600343D+00 -0.219808D+02 -0.379820D+02 -0.894752D+01
      3   0.414235D+01 -0.171928D+01  0.342744D+02 -0.396620D+02 -0.101234D+02
      4  -0.164680D+01  0.613742D+01 -0.276737D+01  0.226580D+02  0.150384D+02
      5   0.190233D+02 -0.334101D+01  0.470431D+02  0.638281D+01  0.221173D+01
      6  -0.191968D+01  0.579631D+01 -0.699529D+01  0.256459D+01  0.146440D+01
               111           112           113           114           115 
      1   0.181903D+01  0.306294D+02  0.123446D+02  0.146420D+01 -0.142218D+02
      2  -0.215414D+01 -0.135676D+02 -0.299160D+01 -0.148147D+01  0.545881D+01
      3   0.335108D+00 -0.170619D+02 -0.935305D+01  0.172673D-01  0.876301D+01
      4   0.132227D+01  0.180018D+02  0.121834D+02 -0.710587D+00 -0.294554D+01
      5   0.966616D+01  0.421442D+01 -0.706381D+00  0.414986D+01  0.116885D+02
      6   0.798359D+00  0.188005D+01  0.121963D+01  0.165956D+01  0.550430D+00
               116           117           118           119           120 
      1  -0.251435D+01  0.688982D+01 -0.443482D+01 -0.970049D+01  0.228298D+01
      2   0.109198D+01 -0.579521D+01  0.475821D+01  0.137331D+02 -0.252938D+01
      3   0.142237D+01 -0.109461D+01 -0.323396D+00 -0.403262D+01  0.246399D+00
      4  -0.500580D+01  0.261257D+01  0.177262D+01 -0.232006D+01  0.175552D+01
      5   0.262505D+01  0.188597D+01 -0.288592D+00  0.298072D+01  0.510276D+00
      6   0.158567D+01 -0.700301D+00 -0.148022D+01 -0.283402D+01  0.176023D+01
               121           122           123           124           125 
      1  -0.621109D+01 -0.255529D+02  0.493944D+01  0.378612D+01  0.104462D+02
      2   0.525445D+01  0.400122D+02 -0.660574D+01 -0.280290D+01 -0.125373D+02
      3   0.956642D+00 -0.144594D+02  0.166630D+01 -0.983217D+00  0.209120D+01
      4   0.440734D+01 -0.199808D+02  0.179605D+01  0.814187D+00  0.491185D+01
      5   0.175949D+01  0.312712D+01 -0.506875D+01  0.369941D+01 -0.515588D+01
      6  -0.147338D+01 -0.647496D+01  0.717786D+01 -0.710893D+00  0.949620D+01
               126           127           128           129           130 
      1  -0.424571D+01  0.172668D+02 -0.497435D+01 -0.731162D+01 -0.194210D+00
      2   0.455385D+01 -0.106524D+02  0.197008D+01  0.508622D+01 -0.159679D+01
      3  -0.308136D+00 -0.661441D+01  0.300427D+01  0.222540D+01  0.179100D+01
      4  -0.422459D+01 -0.145260D+02  0.112438D+02  0.117243D+02  0.951026D+01
      5   0.214688D+01 -0.178282D+02  0.104980D+02  0.193579D+02  0.621934D+01
      6  -0.470166D+01  0.840005D+01 -0.685385D+01 -0.864812D+01 -0.578737D+01
               131           132           133           134           135 
      1  -0.200353D+01  0.586131D+00 -0.116906D+02  0.278227D+01  0.349998D+01
      2   0.552758D+01  0.154592D+01  0.827799D+01 -0.462641D+00 -0.100983D+02
      3  -0.352405D+01 -0.213205D+01  0.341264D+01 -0.231963D+01  0.659834D+01
      4  -0.131227D+02 -0.931681D+01  0.175728D+02 -0.159915D+02 -0.164624D+02
      5  -0.899204D+01 -0.660182D+01  0.231497D+02 -0.152362D+02 -0.307924D+02
      6   0.719011D+01  0.828314D+01 -0.123830D+02  0.132129D+02  0.183263D+02
               136           137           138           139           140 
      1  -0.777620D+00  0.411329D+00 -0.533070D+01  0.281838D+01 -0.407854D+01
      2  -0.278112D+01 -0.103815D+01 -0.336345D+01 -0.202178D+01  0.139602D+01
      3   0.355874D+01  0.626824D+00  0.869415D+01 -0.796593D+00  0.268252D+01
      4   0.119257D+01  0.200213D+01  0.167263D+01  0.234950D+01 -0.190346D+01
      5   0.185172D+01  0.400341D+00  0.509771D+01 -0.154255D+01 -0.190797D+01
      6  -0.306037D+00  0.210252D+00  0.299712D+01 -0.145514D+01  0.106567D+01
               141           142           143           144           145 
      1   0.374946D+01 -0.273465D+01 -0.533841D+01 -0.315160D+02  0.321000D+01
      2   0.645377D+01  0.518651D-01  0.209709D+01 -0.213225D+02  0.489597D+01
      3  -0.102032D+02  0.268279D+01  0.324132D+01  0.528385D+02 -0.810597D+01
      4  -0.204334D+01  0.152802D+01 -0.274412D+01 -0.651339D+00 -0.105296D+02
      5   0.189830D+01  0.549720D+01 -0.125351D+01 -0.103608D+02 -0.269167D+01
      6   0.544748D+01  0.464824D+00  0.838331D+01  0.160962D+02  0.259495D+01
               146           147           148           149           150 
      1   0.309460D+01  0.150632D+01  0.241110D+01 -0.231032D+02 -0.639438D+01
      2  -0.103241D+02 -0.250005D+01 -0.102598D+02  0.446266D+02  0.669185D+01
      3   0.722952D+01  0.993728D+00  0.784874D+01 -0.215234D+02 -0.297467D+00
      4   0.172954D+02  0.322806D+01  0.158772D+02 -0.307326D+02 -0.709213D+01
      5   0.483169D+01  0.339353D+01  0.524573D+01 -0.808738D+01 -0.491825D+01
      6  -0.688804D+01 -0.338408D+01 -0.768542D+01  0.208390D+02  0.110462D+02
               151           152           153           154           155 
      1   0.245485D+01 -0.123391D+01 -0.586674D+01 -0.442799D+01  0.969142D+01
      2  -0.593861D+00 -0.348810D+01  0.246063D+01  0.474969D+01 -0.137206D+02
      3  -0.186099D+01  0.472201D+01  0.340610D+01 -0.321701D+00  0.402920D+01
      4  -0.154531D+01  0.809907D+00 -0.395199D+01 -0.177240D+01 -0.231808D+01
      5   0.155107D+01 -0.344740D+01 -0.232470D+01 -0.287808D+00 -0.298156D+01
      6  -0.203219D+01  0.722761D+01  0.421072D+01  0.148310D+01 -0.283989D+01
               156           157           158           159           160 
      1   0.228831D+01  0.620534D+01 -0.255456D+02 -0.494973D+01  0.379055D+01
      2  -0.253404D+01 -0.524599D+01  0.400020D+02  0.661856D+01 -0.280453D+01
      3   0.245724D+00 -0.959350D+00 -0.144564D+02 -0.166883D+01 -0.986016D+00
      4  -0.175565D+01  0.441021D+01  0.199882D+02  0.180451D+01 -0.810365D+00
      5   0.509336D+00 -0.175804D+01  0.313585D+01  0.507282D+01  0.369914D+01
      6  -0.176085D+01 -0.147403D+01  0.649465D+01  0.718423D+01  0.711128D+00
               161           162           163           164           165 
      1  -0.104561D+02 -0.425296D+01  0.172496D+02  0.496953D+01 -0.730438D+01
      2   0.125487D+02  0.455906D+01 -0.106407D+02 -0.196518D+01  0.507755D+01
      3  -0.209260D+01 -0.306108D+00 -0.660886D+01 -0.300435D+01  0.222683D+01
      4   0.492409D+01  0.423062D+01  0.145184D+02  0.112436D+02 -0.117230D+02
      5   0.516222D+01  0.215456D+01 -0.178140D+02 -0.104971D+02  0.193461D+02
      6   0.950553D+01  0.471297D+01 -0.839720D+01 -0.685365D+01  0.864470D+01
               166           167           168           169           170 
      1   0.193754D+00 -0.200614D+01 -0.585636D+00 -0.116843D+02 -0.277923D+01
      2   0.159918D+01  0.553294D+01 -0.154656D+01  0.826865D+01  0.459213D+00
      3  -0.179294D+01 -0.352680D+01  0.213219D+01  0.341569D+01  0.232002D+01
      4   0.951312D+01  0.131317D+02 -0.931873D+01 -0.175732D+02 -0.159968D+02
      5  -0.622107D+01 -0.899365D+01  0.660674D+01  0.231396D+02  0.152417D+02
      6  -0.578869D+01 -0.719428D+01  0.828770D+01  0.123822D+02  0.132200D+02
               171           172           173           174           175 
      1   0.348911D+01  0.598081D+01 -0.217560D+01  0.713473D+01 -0.405351D+01
      2  -0.100871D+02 -0.571895D+01  0.112547D+01 -0.252032D+01  0.205092D+01
      3   0.659801D+01 -0.261861D+00  0.105013D+01 -0.461441D+01  0.200259D+01
      4   0.164665D+02 -0.288941D+01  0.395106D+00 -0.339649D+00  0.333932D+01
      5  -0.307900D+02  0.479988D+01 -0.105794D+01  0.390164D+01 -0.661134D+00
      6  -0.183328D+02  0.271973D+00 -0.803226D+00 -0.453395D+00  0.160322D+01
               176           177           178           179           180 
      1  -0.269160D+01 -0.272646D+01  0.647130D+01 -0.111295D+01 -0.122760D+02
      2   0.157588D+00 -0.414061D+00 -0.106209D+02 -0.597917D+00 -0.219927D+02
      3   0.253402D+01  0.314052D+01  0.414960D+01  0.171087D+01  0.342686D+02
      4   0.285745D+01  0.338419D+01  0.164357D+01  0.613826D+01  0.275648D+01
      5   0.314547D+01  0.419118D+01  0.190427D+02  0.332986D+01  0.470638D+02
      6   0.202491D+01  0.689203D+01  0.191677D+01  0.579331D+01  0.697809D+01
               181           182           183           184           185 
      1   0.776334D+02 -0.190745D+02  0.179572D+01 -0.306268D+02  0.123449D+02
      2  -0.379732D+02  0.894764D+01 -0.214132D+01  0.135639D+02 -0.299016D+01
      3  -0.396603D+02  0.101269D+02  0.345595D+00  0.170628D+02 -0.935471D+01
      4  -0.226644D+02  0.150404D+02 -0.131459D+01  0.180041D+02 -0.121843D+02
      5   0.634939D+01 -0.220308D+01  0.966266D+01 -0.420042D+01 -0.714219D+00
      6  -0.255952D+01  0.146219D+01 -0.797799D+00  0.187578D+01 -0.121595D+01
               186           187           188           189 
      1  -0.145557D+01 -0.142504D+02  0.252215D+01  0.689446D+01
      2   0.147749D+01  0.547384D+01 -0.109513D+01 -0.579660D+01
      3  -0.219221D-01  0.877658D+01 -0.142701D+01 -0.109786D+01
      4  -0.717589D+00  0.295569D+01 -0.501349D+01 -0.261634D+01
      5  -0.414949D+01  0.116922D+02 -0.262852D+01  0.187350D+01
      6   0.165917D+01 -0.550885D+00  0.158530D+01  0.700888D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102956D+03      0.152566D+02      0.169752D+02
   aniso      0.254564D+02      0.377225D+01      0.419719D+01
   xx         0.119618D+03      0.177256D+02      0.197223D+02
   yx        -0.224870D-03     -0.333223D-04     -0.370760D-04
   yy         0.971134D+02      0.143907D+02      0.160118D+02
   zx         0.126949D+01      0.188119D+00      0.209310D+00
   zy         0.183332D-03      0.271671D-04      0.302274D-04
   zz         0.921375D+02      0.136534D+02      0.151914D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102956D+03      0.152566D+02      0.169752D+02
   aniso      0.254564D+02      0.377225D+01      0.419719D+01
   xx         0.119645D+03      0.177295D+02      0.197268D+02
   yx        -0.303375D+00     -0.449555D-01     -0.500198D-01
   yy         0.920849D+02      0.136456D+02      0.151827D+02
   zx        -0.800755D+00     -0.118660D+00     -0.132027D+00
   zy        -0.104187D+00     -0.154390D-01     -0.171782D-01
   zz         0.971393D+02      0.143946D+02      0.160161D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-28\Freq\RM11\Gen\C9H12\PIERPA\23-Jul-2021\0\\#P M11/G
 en Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read
  Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.850997,1.132902,-1
 .10565\C,1.349583,0.074712,-0.171197\C,0.000033,0.589081,-0.000049\C,2
 .545757,-0.163361,0.661658\C,2.010439,-1.243659,-0.273932\C,-0.8508,1.
 13255,1.105829\C,-1.349503,0.074646,0.171128\C,-2.010462,-1.243726,0.2
 73569\C,-2.545996,-0.163032,-0.661407\H,1.247956,2.136318,-0.998967\H,
 0.606749,0.844078,-2.122271\H,2.409697,-0.307621,1.726593\H,3.473352,0
 .323369,0.386964\H,1.522142,-2.099447,0.175269\H,2.586225,-1.466945,-1
 .163587\H,-0.606306,0.843541,2.122338\H,-1.24784,2.135964,0.99944\H,-1
 .522526,-2.099396,-0.176207\H,-2.585918,-1.467289,1.163367\H,-2.410375
 ,-0.306923,-1.726447\H,-3.47345,0.323675,-0.386186\\Version=ES64L-G16R
 evA.03\State=1-A\HF=-350.184084\RMSD=6.763e-09\RMSF=3.867e-06\ZeroPoin
 t=0.1816545\Thermal=0.1902387\Dipole=-0.0000225,0.0006539,-0.0000157\D
 ipoleDeriv=0.0441472,0.0229242,0.0418348,-0.0035406,0.0325966,0.098281
 4,0.0410455,0.11593,-0.0071946,-0.0431092,0.1814136,-0.0811574,0.20024
 5,0.0217823,0.074772,-0.1110469,0.0479791,0.1274627,-0.0851046,0.00000
 17,0.1614893,0.0000231,0.1930791,-0.0000116,0.1540475,-0.0000199,0.096
 6244,-0.0030876,-0.0185548,-0.0971774,-0.0698904,0.0559693,-0.0457673,
 -0.0997486,-0.0447446,0.0154346,0.100947,0.0073863,-0.0295378,0.017773
 9,-0.0920419,-0.0706457,0.0169835,-0.0676885,0.0633715,0.0441304,-0.02
 29887,0.0418786,0.0034768,0.0326479,-0.0982374,0.0410912,-0.1159148,-0
 .0072472,-0.043081,-0.181395,-0.0811632,-0.2002701,0.0218608,-0.074769
 ,-0.1110858,-0.0479392,0.1273633,0.1009166,-0.0073241,-0.0295144,-0.01
 77519,-0.0920952,0.0706065,0.0169918,0.0676769,0.0634634,-0.0031646,0.
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      HUMANKIND PERIODICALLY GOES THROUGH A SPEEDUP OF ITS AFFAIRS, 
      THEREBY EXPERIENCING THE RACE BETWEEN THE RENEWABLE VITALITY
      OF THE LIVING, AND THE BECKONING VITIATION OF DECADENCE.
      IN THIS PERIODIC RACE, ANY PAUSE BECOMES A LUXURY.
      ONLY THEN CAN ONE REFLECT THAT ALL IS PERMITTED;
      ALL IS POSSIBLE.

                              -- THE APOCRYPHA OF MUAD'DIB
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       0 days  4 hours 21 minutes 31.4 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 23.1 seconds.
 File lengths (MBytes):  RWF=    272 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 13:52:15 2021.
